smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(C)C(=O)Nc1ccnc(N2CCN3CC[NH2+]C[C@H]3C2)c1C[N@@H+]1CC[C@@H](CO)C1 ZINC001164404044 718837496 /nfs/dbraw/zinc/83/74/96/718837496.db2.gz KZEFMASPQAEUCG-MSOLQXFVSA-N 2 0 430.597 0.974 20 0 ICADRP CC(C)(C)C(=O)Nc1ccnc(N2CCN3CC[NH2+]C[C@@H]3C2)c1C[N@@H+]1CC[C@@H](CO)C1 ZINC001164404049 718837534 /nfs/dbraw/zinc/83/75/34/718837534.db2.gz KZEFMASPQAEUCG-QZTJIDSGSA-N 2 0 430.597 0.974 20 0 ICADRP CC(C)(C)C(=O)Nc1ccnc(N2CCN3CC[NH2+]C[C@H]3C2)c1C[N@@H+]1CC[C@H](CO)C1 ZINC001164404053 718837436 /nfs/dbraw/zinc/83/74/36/718837436.db2.gz KZEFMASPQAEUCG-ROUUACIJSA-N 2 0 430.597 0.974 20 0 ICADRP CC(C)(C)C(=O)Nc1ccnc(N2CCN3CC[NH2+]C[C@@H]3C2)c1C[N@@H+]1CC[C@H](CO)C1 ZINC001164404055 718837562 /nfs/dbraw/zinc/83/75/62/718837562.db2.gz KZEFMASPQAEUCG-ZWKOTPCHSA-N 2 0 430.597 0.974 20 0 ICADRP CC(C)(C)C(=O)Nc1ccnc(N2C[C@@H]3C[NH2+]C[C@@]3(CO)C2)c1C[N@@H+]1CC[C@@H](CO)C1 ZINC001164406299 718852368 /nfs/dbraw/zinc/85/23/68/718852368.db2.gz NKJGZWJJJOIXIY-DGGJZMOXSA-N 2 0 431.581 0.899 20 0 ICADRP CC(C)(C)C(=O)Nc1ccnc(N2C[C@@H]3C[NH2+]C[C@]3(CO)C2)c1C[N@@H+]1CC[C@H](CO)C1 ZINC001164406319 718852340 /nfs/dbraw/zinc/85/23/40/718852340.db2.gz NKJGZWJJJOIXIY-HKARXFIJSA-N 2 0 431.581 0.899 20 0 ICADRP CC(C)(C)C(=O)Nc1ccnc(N2C[C@@H]3C[NH2+]C[C@@]3(CO)C2)c1C[N@@H+]1CC[C@H](CO)C1 ZINC001164406324 718852390 /nfs/dbraw/zinc/85/23/90/718852390.db2.gz NKJGZWJJJOIXIY-QQMNAOGKSA-N 2 0 431.581 0.899 20 0 ICADRP CC(C)(C)C(=O)Nc1ccnc(N2C[C@@H]3C[NH2+]C[C@]3(CO)C2)c1C[N@@H+]1CC[C@@H](CO)C1 ZINC001164406327 718852465 /nfs/dbraw/zinc/85/24/65/718852465.db2.gz NKJGZWJJJOIXIY-SAHWJRBASA-N 2 0 431.581 0.899 20 0 ICADRP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(c1ccc(N3CC[NH+](C)CC3)nn1)C2 ZINC001164434107 718968575 /nfs/dbraw/zinc/96/85/75/718968575.db2.gz OFLBAXCNKCBKGM-MSOLQXFVSA-N 2 0 428.459 0.750 20 0 ICADRP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(c1ccc(N3CC[NH+](C)CC3)nn1)C2 ZINC001164434108 718968238 /nfs/dbraw/zinc/96/82/38/718968238.db2.gz OFLBAXCNKCBKGM-QZTJIDSGSA-N 2 0 428.459 0.750 20 0 ICADRP CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(c1ccc(N3CC[NH+](C)CC3)nn1)C2 ZINC001164434109 718968397 /nfs/dbraw/zinc/96/83/97/718968397.db2.gz OFLBAXCNKCBKGM-ROUUACIJSA-N 2 0 428.459 0.750 20 0 ICADRP CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(c1ccc(N3CC[NH+](C)CC3)nn1)C2 ZINC001164434110 718968424 /nfs/dbraw/zinc/96/84/24/718968424.db2.gz OFLBAXCNKCBKGM-ZWKOTPCHSA-N 2 0 428.459 0.750 20 0 ICADRP CC(C)N(C)Cc1nn(-c2nc(S(C)(=O)=O)nc3c2CC[NH2+]CC3)c2c1CC[NH2+]C2 ZINC001164682124 719603599 /nfs/dbraw/zinc/60/35/99/719603599.db2.gz BNOXOURDPIBBJI-UHFFFAOYSA-N 2 0 433.582 0.240 20 0 ICADRP Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(c1cccc(N3CCC([NH3+])CC3)[nH+]1)CC2 ZINC001164708144 719920163 /nfs/dbraw/zinc/92/01/63/719920163.db2.gz FJCJSFKVWRNKSH-UHFFFAOYSA-N 2 0 438.580 0.693 20 0 ICADRP Cn1nnc2c1CCN(c1ccc(N3CC[NH+](C)CC3)nn1)[C@H]2COCC[NH+]1CCCC1 ZINC001164712890 720168954 /nfs/dbraw/zinc/16/89/54/720168954.db2.gz HMBSNYAQYYLMCX-IBGZPJMESA-N 2 0 441.584 0.573 20 0 ICADRP Cn1nnc2c1CCN(c1ccc(N3CC[NH+](C)CC3)nn1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164712891 720169708 /nfs/dbraw/zinc/16/97/08/720169708.db2.gz HMBSNYAQYYLMCX-LJQANCHMSA-N 2 0 441.584 0.573 20 0 ICADRP Cn1nnc2c1CCN(c1ccc(N3CC[NH2+]CC3)nn1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164713489 720172505 /nfs/dbraw/zinc/17/25/05/720172505.db2.gz LHLPBZYQILQCPP-GOSISDBHSA-N 2 0 427.557 0.231 20 0 ICADRP Cn1nnc2c1CCN(c1ccc(N3CC[NH2+]CC3)nn1)[C@H]2COCC[NH+]1CCCC1 ZINC001164713490 720172445 /nfs/dbraw/zinc/17/24/45/720172445.db2.gz LHLPBZYQILQCPP-SFHVURJKSA-N 2 0 427.557 0.231 20 0 ICADRP Cn1nnc2c1CCN(c1nccc(N3CCC([NH3+])CC3)n1)[C@H]2COCC[NH+]1CCCC1 ZINC001164715743 720189398 /nfs/dbraw/zinc/18/93/98/720189398.db2.gz NCOGHLXELRSYDW-IBGZPJMESA-N 2 0 441.584 0.749 20 0 ICADRP Cn1nnc2c1CCN(c1nccc(N3CCC([NH3+])CC3)n1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164715745 720189750 /nfs/dbraw/zinc/18/97/50/720189750.db2.gz NCOGHLXELRSYDW-LJQANCHMSA-N 2 0 441.584 0.749 20 0 ICADRP Cn1nnc2c1CCN(c1ccc(N3CC[NH2+]CC3)cn1)[C@H]2COCC[NH+]1CCCC1 ZINC001164716646 720191655 /nfs/dbraw/zinc/19/16/55/720191655.db2.gz QRZBDGIOLNAECN-FQEVSTJZSA-N 2 0 426.569 0.836 20 0 ICADRP Cn1nnc2c1CCN(c1ccc(N3CC[NH2+]CC3)cn1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164716647 720191885 /nfs/dbraw/zinc/19/18/85/720191885.db2.gz QRZBDGIOLNAECN-HXUWFJFHSA-N 2 0 426.569 0.836 20 0 ICADRP Cn1nnc2c1CCN(c1ccc(OC3CC[NH2+]CC3)nn1)[C@H]2COCC[NH+]1CCCC1 ZINC001164717710 720197768 /nfs/dbraw/zinc/19/77/68/720197768.db2.gz WJWLVNCWOJPBFU-IBGZPJMESA-N 2 0 442.568 0.952 20 0 ICADRP Cn1nnc2c1CCN(c1ccc(OC3CC[NH2+]CC3)nn1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164717712 720198181 /nfs/dbraw/zinc/19/81/81/720198181.db2.gz WJWLVNCWOJPBFU-LJQANCHMSA-N 2 0 442.568 0.952 20 0 ICADRP Cn1nnc2c1CCN(c1cncc(N3CC[NH2+]CC3)n1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164717734 720184362 /nfs/dbraw/zinc/18/43/62/720184362.db2.gz MAANRXOZZYMDMA-GOSISDBHSA-N 2 0 427.557 0.231 20 0 ICADRP Cn1nnc2c1CCN(c1cncc(N3CC[NH2+]CC3)n1)[C@H]2COCC[NH+]1CCCC1 ZINC001164717736 720185126 /nfs/dbraw/zinc/18/51/26/720185126.db2.gz MAANRXOZZYMDMA-SFHVURJKSA-N 2 0 427.557 0.231 20 0 ICADRP CS(=O)(=O)c1nc2c(c(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)n1)CC[NH2+]CC2 ZINC001164734172 720549613 /nfs/dbraw/zinc/54/96/13/720549613.db2.gz XHYGBLPOPMTOFU-UHFFFAOYSA-N 2 0 445.593 0.423 20 0 ICADRP C[NH+](C)CCNC(=O)c1noc2c1CN(c1ccc(OCC3CC[NH2+]CC3)nn1)CC2 ZINC001164753666 720967737 /nfs/dbraw/zinc/96/77/37/720967737.db2.gz HLZMPTDUFWWTRP-UHFFFAOYSA-N 2 0 429.525 0.697 20 0 ICADRP C[NH+]1CCN(Cc2cn3c(n2)CN(c2ccc(OCC4CC[NH2+]CC4)nn2)CC3)CC1 ZINC001164795635 721521478 /nfs/dbraw/zinc/52/14/78/721521478.db2.gz PVANVYHZWVPSBH-UHFFFAOYSA-N 2 0 426.569 0.819 20 0 ICADRP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(S(C)(=O)=O)nc3c1CC[NH2+]CC3)C2 ZINC001164810401 720070630 /nfs/dbraw/zinc/07/06/30/720070630.db2.gz LQAHHKGPTXJTKU-HTAPYJJXSA-N 2 0 449.621 0.753 20 0 ICADRP COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(S(C)(=O)=O)nc3c1CC[NH2+]CC3)C2 ZINC001164810402 720070929 /nfs/dbraw/zinc/07/09/29/720070929.db2.gz LQAHHKGPTXJTKU-JTSKRJEESA-N 2 0 449.621 0.753 20 0 ICADRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(S(C)(=O)=O)nc3c1CC[NH2+]CC3)C2 ZINC001164810403 720070235 /nfs/dbraw/zinc/07/02/35/720070235.db2.gz LQAHHKGPTXJTKU-VGOFRKELSA-N 2 0 449.621 0.753 20 0 ICADRP COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(S(C)(=O)=O)nc3c1CC[NH2+]CC3)C2 ZINC001164810404 720070366 /nfs/dbraw/zinc/07/03/66/720070366.db2.gz LQAHHKGPTXJTKU-VGSWGCGISA-N 2 0 449.621 0.753 20 0 ICADRP CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncccc1C(=O)N1CC[NH2+]CC1)CCC2 ZINC001164812780 720229347 /nfs/dbraw/zinc/22/93/47/720229347.db2.gz IDTSFMHJUHFFBA-UHFFFAOYSA-N 2 0 439.564 0.934 20 0 ICADRP CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3nccc(N4CCC([NH3+])CC4)n3)CC2)C1 ZINC001164872451 721279715 /nfs/dbraw/zinc/27/97/15/721279715.db2.gz DJSKZDHDTVWUOY-UHFFFAOYSA-N 2 0 431.585 0.411 20 0 ICADRP CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3ccc(N4CC[NH+](C)CC4)nn3)CC2)C1 ZINC001164872779 721263245 /nfs/dbraw/zinc/26/32/45/721263245.db2.gz FWOUBDBJOORJDW-UHFFFAOYSA-N 2 0 431.585 0.235 20 0 ICADRP CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3ccc(OC4CC[NH2+]CC4)nn3)CC2)C1 ZINC001164877218 721286796 /nfs/dbraw/zinc/28/67/96/721286796.db2.gz MGVMOIIJNCUFNI-UHFFFAOYSA-N 2 0 432.569 0.614 20 0 ICADRP CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3ccc(OCC4CC[NH2+]CC4)nn3)CC2)C1 ZINC001164877829 721289734 /nfs/dbraw/zinc/28/97/34/721289734.db2.gz PCHCDKHFGUQEFF-UHFFFAOYSA-N 2 0 446.596 0.862 20 0 ICADRP CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ncccc4C(=O)N4CC[NH2+]CC4)C3)O2)CC1 ZINC001164887256 721422682 /nfs/dbraw/zinc/42/26/82/721422682.db2.gz LQQHIXBLCMRNMY-GBXCKJPGSA-N 2 0 442.608 0.892 20 0 ICADRP CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ncccc4C(=O)N4CC[NH2+]CC4)C3)O2)CC1 ZINC001164887259 721422782 /nfs/dbraw/zinc/42/27/82/721422782.db2.gz LQQHIXBLCMRNMY-HYBUGGRVSA-N 2 0 442.608 0.892 20 0 ICADRP CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ncccc4C(=O)N4CC[NH2+]CC4)C3)O2)CC1 ZINC001164887260 721422557 /nfs/dbraw/zinc/42/25/57/721422557.db2.gz LQQHIXBLCMRNMY-RDPSFJRHSA-N 2 0 442.608 0.892 20 0 ICADRP CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ncccc4C(=O)N4CC[NH2+]CC4)C3)O2)CC1 ZINC001164887262 721422966 /nfs/dbraw/zinc/42/29/66/721422966.db2.gz LQQHIXBLCMRNMY-YKSBVNFPSA-N 2 0 442.608 0.892 20 0 ICADRP CN(C)C(=O)COCc1nnc2n1CCN(c1cc(OC3CC[NH+](C)CC3)cc[nH+]1)C2 ZINC001165011408 721723598 /nfs/dbraw/zinc/72/35/98/721723598.db2.gz PXTXOIQSCMAVOI-UHFFFAOYSA-N 2 0 429.525 0.771 20 0 ICADRP CCN1CCC([NH+]2CCC(C(=O)N(CCN3CC[NH+](C)CC3)CC(=O)OC)CC2)CC1 ZINC001467509536 1069012282 /nfs/dbraw/zinc/01/22/82/1069012282.db2.gz XSEZOJOFURYWKP-UHFFFAOYSA-N 2 0 437.629 0.432 20 0 ICADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CC1 ZINC001467602761 1069017351 /nfs/dbraw/zinc/01/73/51/1069017351.db2.gz DPMISAGQCYRLDQ-UHFFFAOYSA-N 2 0 430.597 0.740 20 0 ICADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)NC[C@@]3(CO)COC[C@@H]4CCC[N@@H+]43)cc2)CC1 ZINC001467603773 1069017649 /nfs/dbraw/zinc/01/76/49/1069017649.db2.gz MRZKRZBRROHFIU-LADGPHEKSA-N 2 0 445.608 0.849 20 0 ICADRP CN1CC[C@@H]([NH+]2CCC(NC(=O)c3ccc4[nH]c(=O)n(CC[NH+](C)C)c4c3)CC2)C1=O ZINC001467863889 1069041177 /nfs/dbraw/zinc/04/11/77/1069041177.db2.gz NJEDHSVSXXZIED-GOSISDBHSA-N 2 0 428.537 0.728 20 0 ICADRP CN1CC[C@H]([NH+]2CCC(NC(=O)c3ccc4[nH]c(=O)n(CC[NH+](C)C)c4c3)CC2)C1=O ZINC001467863890 1069041131 /nfs/dbraw/zinc/04/11/31/1069041131.db2.gz NJEDHSVSXXZIED-SFHVURJKSA-N 2 0 428.537 0.728 20 0 ICADRP C[NH+]1CCN(c2cc(CNC(=O)N3CCC(C(N)=O)([NH+]4CCCCC4)CC3)ccn2)CC1 ZINC001467880252 1069044443 /nfs/dbraw/zinc/04/44/43/1069044443.db2.gz CZNJLMVOCVJHDU-UHFFFAOYSA-N 2 0 443.596 0.849 20 0 ICADRP C[NH+]1CCN(c2ccc(CNC(=O)N3CCC(C(N)=O)([NH+]4CCCCC4)CC3)cn2)CC1 ZINC001467907314 1069048517 /nfs/dbraw/zinc/04/85/17/1069048517.db2.gz NDYZDJMJWDGTOF-UHFFFAOYSA-N 2 0 443.596 0.849 20 0 ICADRP Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)NCC[NH+]1CCC(O)CC1 ZINC001468121929 1069077907 /nfs/dbraw/zinc/07/79/07/1069077907.db2.gz BHLBSZBESYYAQW-UHFFFAOYSA-N 2 0 426.583 0.412 20 0 ICADRP CNS(=O)(=O)C[C@@H]1CCCN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001468362987 1069107476 /nfs/dbraw/zinc/10/74/76/1069107476.db2.gz GOMUMUBSUZDTLA-GOSISDBHSA-N 2 0 438.598 0.565 20 0 ICADRP CNS(=O)(=O)C[C@H]1CCCN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001468362988 1069107881 /nfs/dbraw/zinc/10/78/81/1069107881.db2.gz GOMUMUBSUZDTLA-SFHVURJKSA-N 2 0 438.598 0.565 20 0 ICADRP CCOC(=O)[C@@H]1CN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC12COC2 ZINC001468363566 1069108396 /nfs/dbraw/zinc/10/83/96/1069108396.db2.gz OFSZMWNGAIZATO-IBGZPJMESA-N 2 0 431.537 0.815 20 0 ICADRP CCOC(=O)[C@H]1CN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC12COC2 ZINC001468363567 1069108734 /nfs/dbraw/zinc/10/87/34/1069108734.db2.gz OFSZMWNGAIZATO-LJQANCHMSA-N 2 0 431.537 0.815 20 0 ICADRP CN(Cc1nnc2c(=O)[nH]ccn12)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001468363906 1069108933 /nfs/dbraw/zinc/10/89/33/1069108933.db2.gz SGECWHQLSTZKBC-UHFFFAOYSA-N 2 0 425.497 0.166 20 0 ICADRP C[NH+]1CCN(C[C@H](NC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@@H+]32)c2ccccc2)CC1 ZINC001468580305 1069138953 /nfs/dbraw/zinc/13/89/53/1069138953.db2.gz NJNBUFMWPZEMQE-QNWVGRARSA-N 2 0 431.581 0.500 20 0 ICADRP C[NH+]1CCN(C[C@@H](NC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@@H+]32)c2ccccc2)CC1 ZINC001468580312 1069139033 /nfs/dbraw/zinc/13/90/33/1069139033.db2.gz NJNBUFMWPZEMQE-QZNHQXDQSA-N 2 0 431.581 0.500 20 0 ICADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@@H+]32)c1 ZINC001468583823 1069139709 /nfs/dbraw/zinc/13/97/09/1069139709.db2.gz QGXXFJDFQPRDRU-SIKLNZKXSA-N 2 0 433.553 0.003 20 0 ICADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)CC1 ZINC001468608053 1069141894 /nfs/dbraw/zinc/14/18/94/1069141894.db2.gz PQZZUHSMEKZHDB-NRFANRHFSA-N 2 0 431.581 0.995 20 0 ICADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)CC1 ZINC001468608057 1069141889 /nfs/dbraw/zinc/14/18/89/1069141889.db2.gz PQZZUHSMEKZHDB-OAQYLSRUSA-N 2 0 431.581 0.995 20 0 ICADRP C[NH+](C)CCN1CCN(C(=O)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)CC1=O ZINC001468715811 1069155665 /nfs/dbraw/zinc/15/56/65/1069155665.db2.gz NSUMMRRDENCNSU-FQEVSTJZSA-N 2 0 444.580 0.299 20 0 ICADRP C[NH+](C)CCN1CCN(C(=O)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)CC1=O ZINC001468715812 1069155734 /nfs/dbraw/zinc/15/57/34/1069155734.db2.gz NSUMMRRDENCNSU-HXUWFJFHSA-N 2 0 444.580 0.299 20 0 ICADRP C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC001469008426 1069193159 /nfs/dbraw/zinc/19/31/59/1069193159.db2.gz OKJIOMVWAMGEIO-GOSISDBHSA-N 2 0 441.617 0.744 20 0 ICADRP C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC001469008429 1069193358 /nfs/dbraw/zinc/19/33/58/1069193358.db2.gz OKJIOMVWAMGEIO-SFHVURJKSA-N 2 0 441.617 0.744 20 0 ICADRP CCNS(=O)(=O)c1ccc(CNC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1 ZINC001469278040 1069211819 /nfs/dbraw/zinc/21/18/19/1069211819.db2.gz SUBDMQFWKGYDFD-QZTJIDSGSA-N 2 0 425.599 0.866 20 0 ICADRP C[NH+](C)C[C@@H]1CN(C(=O)NC2CCN(S(=O)(=O)C(C)(C)C)CC2)C[C@H]1C[NH+](C)C ZINC001469768133 1069248894 /nfs/dbraw/zinc/24/88/94/1069248894.db2.gz VBLYFXLSBWIUSL-IAGOWNOFSA-N 2 0 431.647 0.960 20 0 ICADRP COc1cc[nH+]c(N2CCN(C(=O)NCC3(N4CCOCC4)CC[NH+](C)CC3)CC2)c1 ZINC001470507394 1069322100 /nfs/dbraw/zinc/32/21/00/1069322100.db2.gz QJKFAOHTQRZCJA-UHFFFAOYSA-N 2 0 432.569 0.718 20 0 ICADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)C1 ZINC001470508217 1069322697 /nfs/dbraw/zinc/32/26/97/1069322697.db2.gz UXMULWVHHPGDAQ-FQEVSTJZSA-N 2 0 425.618 0.925 20 0 ICADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)C1 ZINC001470508218 1069322598 /nfs/dbraw/zinc/32/25/98/1069322598.db2.gz UXMULWVHHPGDAQ-HXUWFJFHSA-N 2 0 425.618 0.925 20 0 ICADRP C[C@H](CNC(=O)NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)N1CC[NH+](C)CC1 ZINC001470522310 1069323647 /nfs/dbraw/zinc/32/36/47/1069323647.db2.gz KIZHODXLEHBOMQ-GOSISDBHSA-N 2 0 430.597 0.819 20 0 ICADRP C[C@@H](CNC(=O)NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)N1CC[NH+](C)CC1 ZINC001470522311 1069323868 /nfs/dbraw/zinc/32/38/68/1069323868.db2.gz KIZHODXLEHBOMQ-SFHVURJKSA-N 2 0 430.597 0.819 20 0 ICADRP CN1CCN(C(=O)NCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)CC[N@H+](C)CC1 ZINC001470523926 1069323412 /nfs/dbraw/zinc/32/34/12/1069323412.db2.gz WIPAGQVZTJZTTI-UHFFFAOYSA-N 2 0 430.597 0.773 20 0 ICADRP C[NH+](C)C[C@@H]1CN(C(=O)c2ccccc2S(=O)(=O)N2CCOCC2)C[C@H]1C[NH+](C)C ZINC001471109258 1069391831 /nfs/dbraw/zinc/39/18/31/1069391831.db2.gz LOWWKFYMDDXKED-QZTJIDSGSA-N 2 0 438.594 0.519 20 0 ICADRP C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(S(N)(=O)=O)c(Br)c2)C[C@H]1C[NH+](C)C ZINC001471109419 1069391480 /nfs/dbraw/zinc/39/14/80/1069391480.db2.gz SRTHUHVUPFERCY-ZIAGYGMSSA-N 2 0 447.399 0.908 20 0 ICADRP C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)C[C@H]1C[NH+](C)C ZINC001471109754 1069391710 /nfs/dbraw/zinc/39/17/10/1069391710.db2.gz YFMKTKTVENUNGT-HZPDHXFCSA-N 2 0 428.555 0.112 20 0 ICADRP C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1 ZINC001471110780 1069391854 /nfs/dbraw/zinc/39/18/54/1069391854.db2.gz ITWXBZMWQPQTLH-CGTJXYLNSA-N 2 0 426.583 0.157 20 0 ICADRP C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1 ZINC001471110781 1069392345 /nfs/dbraw/zinc/39/23/45/1069392345.db2.gz ITWXBZMWQPQTLH-KBAYOESNSA-N 2 0 426.583 0.157 20 0 ICADRP C[NH+](C)CCN1CCN(C(=O)NCCC2(O)CC[NH+](Cc3ccccc3)CC2)CC1=O ZINC001471196892 1069401766 /nfs/dbraw/zinc/40/17/66/1069401766.db2.gz MZJJZEPIEQKDCN-UHFFFAOYSA-N 2 0 431.581 0.819 20 0 ICADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCc1cn(C2CN(C(=O)OC(C)(C)C)C2)nn1 ZINC001471278769 1069409929 /nfs/dbraw/zinc/40/99/29/1069409929.db2.gz QPKKZJRCXRTNLR-UHFFFAOYSA-N 2 0 438.577 0.705 20 0 ICADRP C[NH+](C)CCN1CCN(C(=O)NCC[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)CC1=O ZINC001471321743 1069416577 /nfs/dbraw/zinc/41/65/77/1069416577.db2.gz HAQSDYMTUWUYPT-UHFFFAOYSA-N 2 0 440.589 0.391 20 0 ICADRP COC(=O)[C@@H]1CN(C(=O)NCC[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)CC[N@H+](C)C1 ZINC001471322869 1069417180 /nfs/dbraw/zinc/41/71/80/1069417180.db2.gz RBHOSUXMBAPXRN-INIZCTEOSA-N 2 0 441.573 0.722 20 0 ICADRP COC(=O)[C@H]1CN(C(=O)NCC[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)CC[N@H+](C)C1 ZINC001471322870 1069417154 /nfs/dbraw/zinc/41/71/54/1069417154.db2.gz RBHOSUXMBAPXRN-MRXNPFEDSA-N 2 0 441.573 0.722 20 0 ICADRP CN1CCN(C(=O)NCC[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)CC[N@H+](C)CC1 ZINC001471323068 1069417290 /nfs/dbraw/zinc/41/72/90/1069417290.db2.gz SQDLICRSVLWIFS-UHFFFAOYSA-N 2 0 426.606 0.864 20 0 ICADRP C[NH+](C)C[C@@H]1CN(C(=O)NCCNS(=O)(=O)Cc2ccccc2)C[C@H]1C[NH+](C)C ZINC001471364160 1069421020 /nfs/dbraw/zinc/42/10/20/1069421020.db2.gz CBGABPRQWTVYCC-RTBURBONSA-N 2 0 425.599 0.487 20 0 ICADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1 ZINC001471517380 1069447581 /nfs/dbraw/zinc/44/75/81/1069447581.db2.gz HINBZJVXXIFTGY-INIZCTEOSA-N 2 0 440.589 0.341 20 0 ICADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1 ZINC001471517381 1069447398 /nfs/dbraw/zinc/44/73/98/1069447398.db2.gz HINBZJVXXIFTGY-MRXNPFEDSA-N 2 0 440.589 0.341 20 0 ICADRP C[NH+](C)CCn1c2cc(C(=O)N[C@H]3CCC[N@H+](CCN4CCOCC4)C3)ccc2[nH]c1=O ZINC001471538258 1069452573 /nfs/dbraw/zinc/45/25/73/1069452573.db2.gz OOROQYVFKFRLHD-IBGZPJMESA-N 2 0 444.580 0.830 20 0 ICADRP C[NH+](C)CCn1c2cc(C(=O)N[C@@H]3CCC[N@H+](CCN4CCOCC4)C3)ccc2[nH]c1=O ZINC001471538259 1069452697 /nfs/dbraw/zinc/45/26/97/1069452697.db2.gz OOROQYVFKFRLHD-LJQANCHMSA-N 2 0 444.580 0.830 20 0 ICADRP C[NH+](C)CCNC(=O)C1CC[NH+](C[C@@H]2CC3(CN(C(=O)OC(C)(C)C)C3)C(=O)O2)CC1 ZINC001473526563 1069598214 /nfs/dbraw/zinc/59/82/14/1069598214.db2.gz RHCWFATZFFKAIS-KRWDZBQOSA-N 2 0 438.569 0.929 20 0 ICADRP C[NH+](C)CCNC(=O)C1CC[NH+](C[C@H]2CC3(CN(C(=O)OC(C)(C)C)C3)C(=O)O2)CC1 ZINC001473526564 1069598235 /nfs/dbraw/zinc/59/82/35/1069598235.db2.gz RHCWFATZFFKAIS-QGZVFWFLSA-N 2 0 438.569 0.929 20 0 ICADRP C[NH+](C)CC1(O)CC[NH+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)CC1 ZINC001473682455 1069618830 /nfs/dbraw/zinc/61/88/30/1069618830.db2.gz AQRJZEYMDNNLBT-UHFFFAOYSA-N 2 0 442.557 0.047 20 0 ICADRP Cn1ncc(I)c1C[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC001474181596 1069648605 /nfs/dbraw/zinc/64/86/05/1069648605.db2.gz YLTUBWLLFPMXGE-UHFFFAOYSA-N 2 0 433.338 0.911 20 0 ICADRP CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)CC1 ZINC001474581112 1069652086 /nfs/dbraw/zinc/65/20/86/1069652086.db2.gz OLLWPWDZMQFAOJ-IBGZPJMESA-N 2 0 438.613 0.953 20 0 ICADRP CCOC(=O)C1CCN(C(=O)C[C@@H](C)[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)CC1 ZINC001474581113 1069651755 /nfs/dbraw/zinc/65/17/55/1069651755.db2.gz OLLWPWDZMQFAOJ-LJQANCHMSA-N 2 0 438.613 0.953 20 0 ICADRP C[NH+]1CCN(CCCS(=O)(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)CC1 ZINC001474834353 1069666620 /nfs/dbraw/zinc/66/66/20/1069666620.db2.gz KWUGZADXCPANLS-UHFFFAOYSA-N 2 0 443.658 0.268 20 0 ICADRP C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2ccccc2S(=O)(=O)NC2CC2)C[C@H]1C[NH+](C)C ZINC001475575428 1069779829 /nfs/dbraw/zinc/77/98/29/1069779829.db2.gz IFGRMDLMXMJZLB-HZPDHXFCSA-N 2 0 444.623 0.487 20 0 ICADRP COc1cc2c(cc1S(=O)(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)C(=O)NCCC2 ZINC001475575470 1069779951 /nfs/dbraw/zinc/77/99/51/1069779951.db2.gz LBFDNPYYNPGPQZ-IAGOWNOFSA-N 2 0 438.594 0.731 20 0 ICADRP C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2ccc(N3CCCS3(=O)=O)cc2)C[C@H]1C[NH+](C)C ZINC001475575517 1069779848 /nfs/dbraw/zinc/77/98/48/1069779848.db2.gz NDHCINXCAHFQDU-IAGOWNOFSA-N 2 0 444.623 0.586 20 0 ICADRP COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1 ZINC001475575570 1069779919 /nfs/dbraw/zinc/77/99/19/1069779919.db2.gz OWMRBTWNJPMFJW-IAGOWNOFSA-N 2 0 441.550 0.620 20 0 ICADRP CNS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1C ZINC001475575765 1069780076 /nfs/dbraw/zinc/78/00/76/1069780076.db2.gz SFQAYGATIPABNX-HZPDHXFCSA-N 2 0 432.612 0.263 20 0 ICADRP C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)C[C@H]1C[NH+](C)C ZINC001475575779 1069779933 /nfs/dbraw/zinc/77/99/33/1069779933.db2.gz STUDAEAAKDYGNY-ZIAGYGMSSA-N 2 0 432.974 0.564 20 0 ICADRP C[NH+](C)C[C@@H]1CN(S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)C[C@H]1C[NH+](C)C ZINC001475575993 1069780139 /nfs/dbraw/zinc/78/01/39/1069780139.db2.gz WHIKAZMBNOWSME-IAGOWNOFSA-N 2 0 436.578 0.674 20 0 ICADRP COC(=O)CCOc1ccc(S(=O)(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1 ZINC001475576029 1069779986 /nfs/dbraw/zinc/77/99/86/1069779986.db2.gz YSFCTPVBWVHORT-IAGOWNOFSA-N 2 0 427.567 0.988 20 0 ICADRP COC(=O)CN1CCN(c2ccc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc2)CC1 ZINC001476139876 1069861534 /nfs/dbraw/zinc/86/15/34/1069861534.db2.gz UJZANGNPHJZPLF-UHFFFAOYSA-N 2 0 434.585 0.939 20 0 ICADRP CN(C)S(=O)(=O)C[C@H](NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)C(F)(F)F ZINC001476572578 1069885893 /nfs/dbraw/zinc/88/58/93/1069885893.db2.gz GIKBGCZIJAWNBJ-MCIONIFRSA-N 2 0 431.525 0.190 20 0 ICADRP CN(C)S(=O)(=O)C[C@@H](NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)C(F)(F)F ZINC001476572579 1069885544 /nfs/dbraw/zinc/88/55/44/1069885544.db2.gz GIKBGCZIJAWNBJ-MGPQQGTHSA-N 2 0 431.525 0.190 20 0 ICADRP CN(C)S(=O)(=O)c1ccccc1CNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001477409639 1069923433 /nfs/dbraw/zinc/92/34/33/1069923433.db2.gz AOMIRXIPBMFCFX-QZTJIDSGSA-N 2 0 425.599 0.818 20 0 ICADRP C[NH+]1CCN(c2ccc(CNC(=O)NCC3(N4CCOCC4)CC[NH+](C)CC3)cn2)CC1 ZINC001477413345 1069924069 /nfs/dbraw/zinc/92/40/69/1069924069.db2.gz QOWJHWMFVBZBSL-UHFFFAOYSA-N 2 0 445.612 0.429 20 0 ICADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CC(CNC(=O)C(F)(F)F)C1 ZINC001477660740 1069938734 /nfs/dbraw/zinc/93/87/34/1069938734.db2.gz PNXUOSRGHVQVCL-UHFFFAOYSA-N 2 0 428.459 0.914 20 0 ICADRP CN1CCC([NH+]2CCC(NC(=O)NCC3(N4CCOCC4)CC[NH+](C)CC3)CC2)CC1 ZINC001477687226 1069939987 /nfs/dbraw/zinc/93/99/87/1069939987.db2.gz NVUZKCHSZZKBLW-UHFFFAOYSA-N 2 0 436.645 0.641 20 0 ICADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N[C@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC001477710977 1069940624 /nfs/dbraw/zinc/94/06/24/1069940624.db2.gz RZWYDHQGKHBJRL-PMACEKPBSA-N 2 0 438.617 0.025 20 0 ICADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N[C@@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC001477710978 1069941393 /nfs/dbraw/zinc/94/13/93/1069941393.db2.gz RZWYDHQGKHBJRL-UXHICEINSA-N 2 0 438.617 0.025 20 0 ICADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N[C@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC001477710979 1069941273 /nfs/dbraw/zinc/94/12/73/1069941273.db2.gz RZWYDHQGKHBJRL-VQTJNVASSA-N 2 0 438.617 0.025 20 0 ICADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N[C@@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC001477710980 1069941348 /nfs/dbraw/zinc/94/13/48/1069941348.db2.gz RZWYDHQGKHBJRL-WOJBJXKFSA-N 2 0 438.617 0.025 20 0 ICADRP C[NH+](C)C[C@@H]1CN(C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)C[C@H]1C[NH+](C)C ZINC001477725913 1069942646 /nfs/dbraw/zinc/94/26/46/1069942646.db2.gz RQASZBHSAKEKSX-WOJBJXKFSA-N 2 0 430.597 0.716 20 0 ICADRP C[NH+]1CCC2(CC1)CN(C(=O)NCCCC[NH+]1CCN(c3ncccn3)CC1)CCO2 ZINC001477811586 1069951185 /nfs/dbraw/zinc/95/11/85/1069951185.db2.gz DAEODZCCYIKFAZ-UHFFFAOYSA-N 2 0 431.585 0.885 20 0 ICADRP C[C@H](NC(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)[C@H]1C[NH+](C)CCN1C ZINC001477841988 1069954039 /nfs/dbraw/zinc/95/40/39/1069954039.db2.gz SPTODBWSULBIDI-DZFGPLHGSA-N 2 0 430.597 0.817 20 0 ICADRP C[C@H](NC(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)[C@H]1C[NH+](C)CCN1C ZINC001477841989 1069954763 /nfs/dbraw/zinc/95/47/63/1069954763.db2.gz SPTODBWSULBIDI-IOMROCGXSA-N 2 0 430.597 0.817 20 0 ICADRP C[C@H](NC(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)[C@@H]1C[NH+](C)CCN1C ZINC001477841990 1069954815 /nfs/dbraw/zinc/95/48/15/1069954815.db2.gz SPTODBWSULBIDI-WMQCIHAUSA-N 2 0 430.597 0.817 20 0 ICADRP C[C@H](NC(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)[C@@H]1C[NH+](C)CCN1C ZINC001477841991 1069954652 /nfs/dbraw/zinc/95/46/52/1069954652.db2.gz SPTODBWSULBIDI-YYWHXJBOSA-N 2 0 430.597 0.817 20 0 ICADRP O=C(NCC1(O)CC[NH+](Cc2ccccc2)CC1)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001477853348 1069955452 /nfs/dbraw/zinc/95/54/52/1069955452.db2.gz BAFNKAGXLPXNOM-JOCHJYFZSA-N 2 0 445.608 0.719 20 0 ICADRP O=C(NCC1(O)CC[NH+](Cc2ccccc2)CC1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001477853351 1069955402 /nfs/dbraw/zinc/95/54/02/1069955402.db2.gz BAFNKAGXLPXNOM-QFIPXVFZSA-N 2 0 445.608 0.719 20 0 ICADRP CC[NH+]1CCC(N2CCCN(C(=O)N[C@H]3CC[N@H+](CCN4CCOCC4)C3)CC2)CC1 ZINC001477855228 1069956323 /nfs/dbraw/zinc/95/63/23/1069956323.db2.gz SBWZAZNPWDSWLT-NRFANRHFSA-N 2 0 436.645 0.595 20 0 ICADRP CC[NH+]1CCC(N2CCCN(C(=O)N[C@@H]3CC[N@H+](CCN4CCOCC4)C3)CC2)CC1 ZINC001477855229 1069956126 /nfs/dbraw/zinc/95/61/26/1069956126.db2.gz SBWZAZNPWDSWLT-OAQYLSRUSA-N 2 0 436.645 0.595 20 0 ICADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)NCC1([NH+]2CCN(c3ccccc3)CC2)CCOCC1 ZINC001477868909 1069957712 /nfs/dbraw/zinc/95/77/12/1069957712.db2.gz OZXREJATBDGQSY-JOCHJYFZSA-N 2 0 444.624 0.903 20 0 ICADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)NCC1([NH+]2CCN(c3ccccc3)CC2)CCOCC1 ZINC001477868910 1069957727 /nfs/dbraw/zinc/95/77/27/1069957727.db2.gz OZXREJATBDGQSY-QFIPXVFZSA-N 2 0 444.624 0.903 20 0 ICADRP O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)NC[C@@]1(CO)COC[C@@H]2CCC[NH+]21 ZINC001478437141 1069988219 /nfs/dbraw/zinc/98/82/19/1069988219.db2.gz ORMKXJUSJGAGPK-QNWVGRARSA-N 2 0 432.565 0.802 20 0 ICADRP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)NC[C@@]1(CO)COC[C@@H]2CCC[NH+]21 ZINC001478437142 1069988363 /nfs/dbraw/zinc/98/83/63/1069988363.db2.gz ORMKXJUSJGAGPK-QZNHQXDQSA-N 2 0 432.565 0.802 20 0 ICADRP COc1ccc(CNC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1S(N)(=O)=O ZINC001478756262 1070011145 /nfs/dbraw/zinc/01/11/45/1070011145.db2.gz UEGDZOYMIFHLNI-HZPDHXFCSA-N 2 0 427.571 0.223 20 0 ICADRP C[NH+]1CCC(CNC(=O)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)(N2CCOCC2)CC1 ZINC001478817505 1070018783 /nfs/dbraw/zinc/01/87/83/1070018783.db2.gz DTYYCCDEFFGLKS-JOCHJYFZSA-N 2 0 445.608 0.849 20 0 ICADRP C[NH+]1CCC(CNC(=O)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)(N2CCOCC2)CC1 ZINC001478817506 1070018873 /nfs/dbraw/zinc/01/88/73/1070018873.db2.gz DTYYCCDEFFGLKS-QFIPXVFZSA-N 2 0 445.608 0.849 20 0 ICADRP C[NH+]1CCC(CNC(=O)NCC(=O)NCC[NH+]2CCCCCC2)(N2CCOCC2)CC1 ZINC001478818314 1070019102 /nfs/dbraw/zinc/01/91/02/1070019102.db2.gz MXVFUFBJBJNDGI-UHFFFAOYSA-N 2 0 438.617 0.074 20 0 ICADRP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC001478840250 1070020264 /nfs/dbraw/zinc/02/02/64/1070020264.db2.gz SAEBESKTGYDXJI-NHCUHLMSSA-N 2 0 431.581 0.939 20 0 ICADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NC1(C[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC001478972187 1070037939 /nfs/dbraw/zinc/03/79/39/1070037939.db2.gz ZXHMXRZAFNTZGC-FQEVSTJZSA-N 2 0 428.581 0.980 20 0 ICADRP CNS(=O)(=O)c1ccc(CCNC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1 ZINC001479128291 1070052758 /nfs/dbraw/zinc/05/27/58/1070052758.db2.gz GTQPPQGCAMGVKK-QZTJIDSGSA-N 2 0 425.599 0.518 20 0 ICADRP C[NH+](C)C[C@@H]1CN(C(=O)NCc2ccc(CN3C(=O)CNC3=O)cc2)C[C@H]1C[NH+](C)C ZINC001479153557 1070058784 /nfs/dbraw/zinc/05/87/84/1070058784.db2.gz RWJIREDLAKDWQB-RTBURBONSA-N 2 0 430.553 0.619 20 0 ICADRP O=C(NCCC1(O)CC[NH+](Cc2ccccc2)CC1)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21 ZINC001479187251 1070064232 /nfs/dbraw/zinc/06/42/32/1070064232.db2.gz NKJBKJIGPZZSLZ-JTHBVZDNSA-N 2 0 446.592 0.929 20 0 ICADRP CN(C)S(=O)(=O)Cc1ccc(CNC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1 ZINC001479285501 1070071753 /nfs/dbraw/zinc/07/17/53/1070071753.db2.gz VTVNLFIGSGBMQC-WOJBJXKFSA-N 2 0 439.626 0.959 20 0 ICADRP C[NH+]1CCN(c2ccc(CCNC(=O)NC[C@@]3(CO)COC[C@@H]4CCC[N@@H+]43)cc2)CC1 ZINC001479605712 1070098369 /nfs/dbraw/zinc/09/83/69/1070098369.db2.gz VPAUOIVLLHDYPX-JTHBVZDNSA-N 2 0 431.581 0.506 20 0 ICADRP CCc1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1C[C@H](C)N1CC[NH+](CC)CC1 ZINC001499124418 1070262551 /nfs/dbraw/zinc/26/25/51/1070262551.db2.gz GXOIFESJHNSZQJ-FQEVSTJZSA-N 2 0 446.644 0.611 20 0 ICADRP CCc1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1C[C@@H](C)N1CC[NH+](CC)CC1 ZINC001499124419 1070262312 /nfs/dbraw/zinc/26/23/12/1070262312.db2.gz GXOIFESJHNSZQJ-HXUWFJFHSA-N 2 0 446.644 0.611 20 0 ICADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(C)n2C[C@@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001501901485 1070370546 /nfs/dbraw/zinc/37/05/46/1070370546.db2.gz RGZSTQKNWQGCLW-FQEVSTJZSA-N 2 0 435.617 0.934 20 0 ICADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(C)n2C[C@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001501901486 1070370819 /nfs/dbraw/zinc/37/08/19/1070370819.db2.gz RGZSTQKNWQGCLW-HXUWFJFHSA-N 2 0 435.617 0.934 20 0 ICADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001501904043 1070371942 /nfs/dbraw/zinc/37/19/42/1070371942.db2.gz SFMNKMWRHUTQET-JOCHJYFZSA-N 2 0 444.584 0.330 20 0 ICADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccc[nH]3)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001501904044 1070371663 /nfs/dbraw/zinc/37/16/63/1070371663.db2.gz SFMNKMWRHUTQET-QFIPXVFZSA-N 2 0 444.584 0.330 20 0 ICADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(CC(C)C)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001501906324 1070371795 /nfs/dbraw/zinc/37/17/95/1070371795.db2.gz AHTHNOMRWAGMIY-JOCHJYFZSA-N 2 0 435.617 0.534 20 0 ICADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(CC(C)C)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001501906325 1070372226 /nfs/dbraw/zinc/37/22/26/1070372226.db2.gz AHTHNOMRWAGMIY-QFIPXVFZSA-N 2 0 435.617 0.534 20 0 ICADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@H+](C)C(C)C)CC1 ZINC001501906556 1070371484 /nfs/dbraw/zinc/37/14/84/1070371484.db2.gz IDFLIFNWAMEDIR-GOSISDBHSA-N 2 0 448.616 0.560 20 0 ICADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@H+](C)C(C)C)CC1 ZINC001501906557 1070372097 /nfs/dbraw/zinc/37/20/97/1070372097.db2.gz IDFLIFNWAMEDIR-SFHVURJKSA-N 2 0 448.616 0.560 20 0 ICADRP CC[N@@H+]1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[NH+]2CCCC2)C[C@H]1C ZINC001502244219 1070397756 /nfs/dbraw/zinc/39/77/56/1070397756.db2.gz DJBZJWPDWWXCLI-IKGGRYGDSA-N 2 0 427.619 0.903 20 0 ICADRP CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[NH+]2CCCC2)C[C@H]1C ZINC001502244220 1070397397 /nfs/dbraw/zinc/39/73/97/1070397397.db2.gz DJBZJWPDWWXCLI-IXDOHACOSA-N 2 0 427.619 0.903 20 0 ICADRP CC[N@@H+]1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[NH+]2CCCC2)C[C@@H]1C ZINC001502244221 1070397814 /nfs/dbraw/zinc/39/78/14/1070397814.db2.gz DJBZJWPDWWXCLI-ULQDDVLXSA-N 2 0 427.619 0.903 20 0 ICADRP CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[NH+]2CCCC2)C[C@@H]1C ZINC001502244222 1070398088 /nfs/dbraw/zinc/39/80/88/1070398088.db2.gz DJBZJWPDWWXCLI-YESZJQIVSA-N 2 0 427.619 0.903 20 0 ICADRP CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2CCC[NH+]2CCC(O)CC2)C[C@H]1C ZINC001502254743 1070399257 /nfs/dbraw/zinc/39/92/57/1070399257.db2.gz BMBDHZOYIBLFLQ-AOIWGVFYSA-N 2 0 433.601 0.995 20 0 ICADRP CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3CCC(=O)N3)n2CCC[NH+]2CCC(O)CC2)C[C@@H]1C ZINC001502254744 1070399160 /nfs/dbraw/zinc/39/91/60/1070399160.db2.gz BMBDHZOYIBLFLQ-JENIJYKNSA-N 2 0 433.601 0.995 20 0 ICADRP CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2CCC[NH+]2CCC(O)CC2)C[C@@H]1C ZINC001502254745 1070398789 /nfs/dbraw/zinc/39/87/89/1070398789.db2.gz BMBDHZOYIBLFLQ-LNLFQRSKSA-N 2 0 433.601 0.995 20 0 ICADRP CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3CCC(=O)N3)n2CCC[NH+]2CCC(O)CC2)C[C@H]1C ZINC001502254746 1070398587 /nfs/dbraw/zinc/39/85/87/1070398587.db2.gz BMBDHZOYIBLFLQ-ZIFCJYIRSA-N 2 0 433.601 0.995 20 0 ICADRP CC[N@@H+]1CC[C@H](Cn2c(CN3CCCC3=O)nnc2N2CC[NH+](CCOC)[C@H](C)C2)C1 ZINC001502278414 1070403614 /nfs/dbraw/zinc/40/36/14/1070403614.db2.gz CBXZYCUTKPMVGP-MOPGFXCFSA-N 2 0 433.601 0.899 20 0 ICADRP CC[N@@H+]1CC[C@H](Cn2c(CN3CCCC3=O)nnc2N2CC[NH+](CCOC)[C@@H](C)C2)C1 ZINC001502278415 1070403373 /nfs/dbraw/zinc/40/33/73/1070403373.db2.gz CBXZYCUTKPMVGP-OALUTQOASA-N 2 0 433.601 0.899 20 0 ICADRP CC[N@@H+]1CC[C@@H](Cn2c(CN3CCCC3=O)nnc2N2CC[NH+](CCOC)[C@@H](C)C2)C1 ZINC001502278416 1070403530 /nfs/dbraw/zinc/40/35/30/1070403530.db2.gz CBXZYCUTKPMVGP-RBUKOAKNSA-N 2 0 433.601 0.899 20 0 ICADRP CC[N@@H+]1CC[C@@H](Cn2c(CN3CCCC3=O)nnc2N2CC[NH+](CCOC)[C@H](C)C2)C1 ZINC001502278417 1070403643 /nfs/dbraw/zinc/40/36/43/1070403643.db2.gz CBXZYCUTKPMVGP-RTBURBONSA-N 2 0 433.601 0.899 20 0 ICADRP CC[NH+]1CCN([C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CC[NH+](CC3CC3)CC2)CC1 ZINC001502310185 1070414162 /nfs/dbraw/zinc/41/41/62/1070414162.db2.gz UKPIJWHHRCRVEM-IBGZPJMESA-N 2 0 446.644 0.974 20 0 ICADRP CC[NH+]1CCN([C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CC[NH+](CC3CC3)CC2)CC1 ZINC001502310186 1070414342 /nfs/dbraw/zinc/41/43/42/1070414342.db2.gz UKPIJWHHRCRVEM-LJQANCHMSA-N 2 0 446.644 0.974 20 0 ICADRP CC[NH+]1CCN([C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[NH+](C(C)C)CC2)CC1 ZINC001502312265 1070415106 /nfs/dbraw/zinc/41/51/06/1070415106.db2.gz JDOBDIJHXOATEW-MOPGFXCFSA-N 2 0 432.617 0.786 20 0 ICADRP CC[NH+]1CCN([C@@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[NH+](C(C)C)CC2)CC1 ZINC001502312266 1070414985 /nfs/dbraw/zinc/41/49/85/1070414985.db2.gz JDOBDIJHXOATEW-OALUTQOASA-N 2 0 432.617 0.786 20 0 ICADRP CC[NH+]1CCN([C@@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[NH+](C(C)C)CC2)CC1 ZINC001502312267 1070415261 /nfs/dbraw/zinc/41/52/61/1070415261.db2.gz JDOBDIJHXOATEW-RBUKOAKNSA-N 2 0 432.617 0.786 20 0 ICADRP CC[NH+]1CCN([C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[NH+](C(C)C)CC2)CC1 ZINC001502312268 1070415198 /nfs/dbraw/zinc/41/51/98/1070415198.db2.gz JDOBDIJHXOATEW-RTBURBONSA-N 2 0 432.617 0.786 20 0 ICADRP CC[N@@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[NH+]2CCSCC2)C[C@H]1C ZINC001502319681 1070420933 /nfs/dbraw/zinc/42/09/33/1070420933.db2.gz TUIJCEAVDOYRLO-CVEARBPZSA-N 2 0 445.659 0.468 20 0 ICADRP CC[N@@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[NH+]2CCSCC2)C[C@@H]1C ZINC001502319682 1070420978 /nfs/dbraw/zinc/42/09/78/1070420978.db2.gz TUIJCEAVDOYRLO-HOTGVXAUSA-N 2 0 445.659 0.468 20 0 ICADRP CC[N@@H+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[NH+]2CCSCC2)C[C@H]1C ZINC001502319683 1070421376 /nfs/dbraw/zinc/42/13/76/1070421376.db2.gz TUIJCEAVDOYRLO-HZPDHXFCSA-N 2 0 445.659 0.468 20 0 ICADRP CC[N@@H+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[NH+]2CCSCC2)C[C@@H]1C ZINC001502319684 1070421334 /nfs/dbraw/zinc/42/13/34/1070421334.db2.gz TUIJCEAVDOYRLO-JKSUJKDBSA-N 2 0 445.659 0.468 20 0 ICADRP CC[N@@H+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC[NH+]2CCCC2)C[C@@H]1C ZINC001502319721 1070421167 /nfs/dbraw/zinc/42/11/67/1070421167.db2.gz UFKRMISSHITHEE-DLBZAZTESA-N 2 0 427.619 0.905 20 0 ICADRP CC[N@@H+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC[NH+]2CCCC2)C[C@H]1C ZINC001502319722 1070421296 /nfs/dbraw/zinc/42/12/96/1070421296.db2.gz UFKRMISSHITHEE-IAGOWNOFSA-N 2 0 427.619 0.905 20 0 ICADRP CC[N@@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCC[NH+]2CCCC2)C[C@@H]1C ZINC001502319723 1070421047 /nfs/dbraw/zinc/42/10/47/1070421047.db2.gz UFKRMISSHITHEE-IRXDYDNUSA-N 2 0 427.619 0.905 20 0 ICADRP CC[N@@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCC[NH+]2CCCC2)C[C@H]1C ZINC001502319724 1070421023 /nfs/dbraw/zinc/42/10/23/1070421023.db2.gz UFKRMISSHITHEE-SJORKVTESA-N 2 0 427.619 0.905 20 0 ICADRP CC[N@@H+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2(O)CC[NH+](C(C)C)CC2)C[C@H]1C ZINC001502325365 1070421849 /nfs/dbraw/zinc/42/18/49/1070421849.db2.gz FQTBSLUMOBRXNM-MSOLQXFVSA-N 2 0 433.601 0.995 20 0 ICADRP CC[N@@H+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(O)CC[NH+](C(C)C)CC2)C[C@H]1C ZINC001502325366 1070422059 /nfs/dbraw/zinc/42/20/59/1070422059.db2.gz FQTBSLUMOBRXNM-QZTJIDSGSA-N 2 0 433.601 0.995 20 0 ICADRP CC[N@@H+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2(O)CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC001502325367 1070422319 /nfs/dbraw/zinc/42/23/19/1070422319.db2.gz FQTBSLUMOBRXNM-ROUUACIJSA-N 2 0 433.601 0.995 20 0 ICADRP CC[N@@H+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(O)CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC001502325368 1070422030 /nfs/dbraw/zinc/42/20/30/1070422030.db2.gz FQTBSLUMOBRXNM-ZWKOTPCHSA-N 2 0 433.601 0.995 20 0 ICADRP CC[NH+]1CCN([C@@H]2CCN(c3nnc([C@@H]4CCC(=O)N4)n3CC[N@H+](C)CCOC)C2)CC1 ZINC001502334202 1070424944 /nfs/dbraw/zinc/42/49/44/1070424944.db2.gz BXDZCPFGPNJGKY-MOPGFXCFSA-N 2 0 448.616 0.024 20 0 ICADRP CC[NH+]1CCN([C@H]2CCN(c3nnc([C@@H]4CCC(=O)N4)n3CC[N@H+](C)CCOC)C2)CC1 ZINC001502334203 1070424880 /nfs/dbraw/zinc/42/48/80/1070424880.db2.gz BXDZCPFGPNJGKY-OALUTQOASA-N 2 0 448.616 0.024 20 0 ICADRP CC[NH+]1CCN([C@H]2CCN(c3nnc([C@H]4CCC(=O)N4)n3CC[N@H+](C)CCOC)C2)CC1 ZINC001502334204 1070425940 /nfs/dbraw/zinc/42/59/40/1070425940.db2.gz BXDZCPFGPNJGKY-RBUKOAKNSA-N 2 0 448.616 0.024 20 0 ICADRP CC[NH+]1CCN([C@@H]2CCN(c3nnc([C@H]4CCC(=O)N4)n3CC[N@H+](C)CCOC)C2)CC1 ZINC001502334205 1070426059 /nfs/dbraw/zinc/42/60/59/1070426059.db2.gz BXDZCPFGPNJGKY-RTBURBONSA-N 2 0 448.616 0.024 20 0 ICADRP CC[NH+]1CCN([C@H]2CCN(c3nnc([C@H]4CCOC4)n3CCOCC[NH+](C)C)C2)CC1 ZINC001502335764 1070426861 /nfs/dbraw/zinc/42/68/61/1070426861.db2.gz QJRZRYZMMWHVBT-PMACEKPBSA-N 2 0 435.617 0.576 20 0 ICADRP CC[NH+]1CCN([C@H]2CCN(c3nnc([C@@H]4CCOC4)n3CCOCC[NH+](C)C)C2)CC1 ZINC001502335765 1070427011 /nfs/dbraw/zinc/42/70/11/1070427011.db2.gz QJRZRYZMMWHVBT-UXHICEINSA-N 2 0 435.617 0.576 20 0 ICADRP CC[NH+]1CCN([C@@H]2CCN(c3nnc([C@H]4CCOC4)n3CCOCC[NH+](C)C)C2)CC1 ZINC001502335766 1070426934 /nfs/dbraw/zinc/42/69/34/1070426934.db2.gz QJRZRYZMMWHVBT-VQTJNVASSA-N 2 0 435.617 0.576 20 0 ICADRP CC[NH+]1CCN([C@@H]2CCN(c3nnc([C@@H]4CCOC4)n3CCOCC[NH+](C)C)C2)CC1 ZINC001502335767 1070426680 /nfs/dbraw/zinc/42/66/80/1070426680.db2.gz QJRZRYZMMWHVBT-WOJBJXKFSA-N 2 0 435.617 0.576 20 0 ICADRP CC[NH+]1CCN([C@H]2CCN(c3nnc([C@H]4CCCO4)n3CC[N@H+](C)CCOC)C2)CC1 ZINC001502337622 1070426716 /nfs/dbraw/zinc/42/67/16/1070426716.db2.gz LJZNTBOTJLZQEN-VQTJNVASSA-N 2 0 435.617 0.924 20 0 ICADRP CC[NH+]1CCN([C@@H]2CCN(c3nnc([C@H]4CCCO4)n3CC[N@H+](C)CCOC)C2)CC1 ZINC001502337623 1070427746 /nfs/dbraw/zinc/42/77/46/1070427746.db2.gz LJZNTBOTJLZQEN-WOJBJXKFSA-N 2 0 435.617 0.924 20 0 ICADRP CC[NH+]1CCN(CCCn2c(C)nnc2N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC001502354830 1070430689 /nfs/dbraw/zinc/43/06/89/1070430689.db2.gz OJQDQOVHYWXJSS-UHFFFAOYSA-N 2 0 432.617 0.359 20 0 ICADRP C[NH+](C)CCOCCn1c(C(=O)N2CCCC2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001503401508 1070634605 /nfs/dbraw/zinc/63/46/05/1070634605.db2.gz AQMBUULMIBJKEA-IBGZPJMESA-N 2 0 449.600 0.251 20 0 ICADRP C[NH+](C)CCOCCn1c(C(=O)N2CCCC2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001503401510 1070634858 /nfs/dbraw/zinc/63/48/58/1070634858.db2.gz AQMBUULMIBJKEA-LJQANCHMSA-N 2 0 449.600 0.251 20 0 ICADRP C[NH+](C)CCOCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001503404012 1070636395 /nfs/dbraw/zinc/63/63/95/1070636395.db2.gz CLSOFCATNQRRSR-IBGZPJMESA-N 2 0 449.600 0.105 20 0 ICADRP C[NH+](C)CCOCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001503404013 1070636618 /nfs/dbraw/zinc/63/66/18/1070636618.db2.gz CLSOFCATNQRRSR-LJQANCHMSA-N 2 0 449.600 0.105 20 0 ICADRP Cn1cc(-c2nnc(N3CCC[C@H](C[NH+]4CCOCC4)C3)n2CCOCC[NH+](C)C)cn1 ZINC001503405140 1070637439 /nfs/dbraw/zinc/63/74/39/1070637439.db2.gz SOIRKTGTZJIKIV-LJQANCHMSA-N 2 0 446.600 0.805 20 0 ICADRP Cn1cc(C[N@@H+]2CCCN(c3nnc([C@H]4CCOC4)n3CCOCC[NH+](C)C)CC2)cn1 ZINC001503405678 1070638312 /nfs/dbraw/zinc/63/83/12/1070638312.db2.gz ZFSNKIUGRGFNFK-FQEVSTJZSA-N 2 0 446.600 0.806 20 0 ICADRP Cn1cc(C[N@@H+]2CCCN(c3nnc([C@@H]4CCOC4)n3CCOCC[NH+](C)C)CC2)cn1 ZINC001503405680 1070638210 /nfs/dbraw/zinc/63/82/10/1070638210.db2.gz ZFSNKIUGRGFNFK-HXUWFJFHSA-N 2 0 446.600 0.806 20 0 ICADRP Cn1cc(-c2nnc(N3CC[NH+](C4CCOCC4)CC3)n2CCOCC[NH+](C)C)cn1 ZINC001503405736 1070638069 /nfs/dbraw/zinc/63/80/69/1070638069.db2.gz ZWGQIPXGPSIRNQ-UHFFFAOYSA-N 2 0 432.573 0.558 20 0 ICADRP COC(=O)C[C@@H]1CN(c2nnc(C)n2CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C[C@H]1O ZINC001503881954 1070843419 /nfs/dbraw/zinc/84/34/19/1070843419.db2.gz RNIUQPRYGXPBKV-UYAOXDASSA-N 2 0 443.552 0.554 20 0 ICADRP COCC[N@H+](C)CCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001519114077 1071006363 /nfs/dbraw/zinc/00/63/63/1071006363.db2.gz DLAQOONSTHBTGS-UXHICEINSA-N 2 0 436.601 0.909 20 0 ICADRP COCC[N@H+](C)CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001519114091 1071007316 /nfs/dbraw/zinc/00/73/16/1071007316.db2.gz DLAQOONSTHBTGS-WOJBJXKFSA-N 2 0 436.601 0.909 20 0 ICADRP COCC[N@H+](C)CCn1c(C2CCC2)nnc1N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001519115936 1071008674 /nfs/dbraw/zinc/00/86/74/1071008674.db2.gz KRHOQQIEUKWAPV-IBGZPJMESA-N 2 0 433.601 0.867 20 0 ICADRP COCC[N@H+](C)CCn1c(C2CCC2)nnc1N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001519115937 1071007919 /nfs/dbraw/zinc/00/79/19/1071007919.db2.gz KRHOQQIEUKWAPV-LJQANCHMSA-N 2 0 433.601 0.867 20 0 ICADRP COCC[N@H+](C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001519116043 1071008206 /nfs/dbraw/zinc/00/82/06/1071008206.db2.gz MOCUJIBLBUJQQS-IBGZPJMESA-N 2 0 449.600 0.356 20 0 ICADRP COCC[N@H+](C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001519116044 1071008014 /nfs/dbraw/zinc/00/80/14/1071008014.db2.gz MOCUJIBLBUJQQS-LJQANCHMSA-N 2 0 449.600 0.356 20 0 ICADRP COCC[N@H+](C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001519116086 1071008123 /nfs/dbraw/zinc/00/81/23/1071008123.db2.gz NDZOOPXEFJKNOF-GOSISDBHSA-N 2 0 435.573 0.108 20 0 ICADRP COCC[N@H+](C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001519116088 1071007673 /nfs/dbraw/zinc/00/76/73/1071007673.db2.gz NDZOOPXEFJKNOF-SFHVURJKSA-N 2 0 435.573 0.108 20 0 ICADRP COCC[N@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001519116235 1071009071 /nfs/dbraw/zinc/00/90/71/1071009071.db2.gz ONAPHPFCKHVPGN-LJQANCHMSA-N 2 0 446.600 0.805 20 0 ICADRP COCC[N@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001519117840 1071010914 /nfs/dbraw/zinc/01/09/14/1071010914.db2.gz PEIJMDCBVVUCQT-UHFFFAOYSA-N 2 0 449.600 0.393 20 0 ICADRP COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[NH+](C(C)C)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001519440718 1071081767 /nfs/dbraw/zinc/08/17/67/1071081767.db2.gz DOULKRDWGJLDPS-CNNODRBYSA-N 2 0 436.601 0.989 20 0 ICADRP COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[NH+](C(C)C)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001519440722 1071081836 /nfs/dbraw/zinc/08/18/36/1071081836.db2.gz DOULKRDWGJLDPS-IPJJNNNSSA-N 2 0 436.601 0.989 20 0 ICADRP COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001519445101 1071083223 /nfs/dbraw/zinc/08/32/23/1071083223.db2.gz HAMGCSZNOZJTJW-NPPFBWRTSA-N 2 0 436.601 0.989 20 0 ICADRP COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001519445104 1071083116 /nfs/dbraw/zinc/08/31/16/1071083116.db2.gz HAMGCSZNOZJTJW-SPEDKVCISA-N 2 0 436.601 0.989 20 0 ICADRP COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001539921687 1071619339 /nfs/dbraw/zinc/61/93/39/1071619339.db2.gz BJAWGQNMOAUCJC-UHFFFAOYSA-N 2 0 445.608 0.838 20 0 ICADRP CC(C)[N@H+](C)CCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001541607331 1071814677 /nfs/dbraw/zinc/81/46/77/1071814677.db2.gz LXQSTRVJVJPLGA-MOPGFXCFSA-N 2 0 433.601 0.865 20 0 ICADRP CC(C)[N@H+](C)CCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001541607332 1071815569 /nfs/dbraw/zinc/81/55/69/1071815569.db2.gz LXQSTRVJVJPLGA-OALUTQOASA-N 2 0 433.601 0.865 20 0 ICADRP CC(C)[N@H+](C)CCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001541607333 1071815820 /nfs/dbraw/zinc/81/58/20/1071815820.db2.gz LXQSTRVJVJPLGA-RBUKOAKNSA-N 2 0 433.601 0.865 20 0 ICADRP CC(C)[N@H+](C)CCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001541607334 1071815893 /nfs/dbraw/zinc/81/58/93/1071815893.db2.gz LXQSTRVJVJPLGA-RTBURBONSA-N 2 0 433.601 0.865 20 0 ICADRP CC(C)[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2CCC[NH+]2CCC(O)CC2)CC1 ZINC001541627081 1071818165 /nfs/dbraw/zinc/81/81/65/1071818165.db2.gz AWRUBMJRQMSVOI-UHFFFAOYSA-N 2 0 433.601 0.891 20 0 ICADRP CC(C)[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCC[N@@H+]2CCC[C@@H]2CO)CC1 ZINC001541628415 1071818976 /nfs/dbraw/zinc/81/89/76/1071818976.db2.gz DDWUZPGRPJRRIC-MOPGFXCFSA-N 2 0 433.601 0.997 20 0 ICADRP CC(C)[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCC[N@@H+]2CCC[C@H]2CO)CC1 ZINC001541628416 1071818880 /nfs/dbraw/zinc/81/88/80/1071818880.db2.gz DDWUZPGRPJRRIC-OALUTQOASA-N 2 0 433.601 0.997 20 0 ICADRP CC(C)[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCC[N@@H+]2CCC[C@H]2CO)CC1 ZINC001541628417 1071818728 /nfs/dbraw/zinc/81/87/28/1071818728.db2.gz DDWUZPGRPJRRIC-RBUKOAKNSA-N 2 0 433.601 0.997 20 0 ICADRP CC(C)[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCC[N@@H+]2CCC[C@@H]2CO)CC1 ZINC001541628418 1071819009 /nfs/dbraw/zinc/81/90/09/1071819009.db2.gz DDWUZPGRPJRRIC-RTBURBONSA-N 2 0 433.601 0.997 20 0 ICADRP CC(C)NC(=O)c1nnc(N2C[C@@H]3CCC[NH+]3C[C@@H]2C)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001541649332 1071830360 /nfs/dbraw/zinc/83/03/60/1071830360.db2.gz COXZRMVGFCMFLI-FHWLQOOXSA-N 2 0 433.601 0.936 20 0 ICADRP CC(C)NC(=O)c1nnc(N2C[C@@H]3CCC[NH+]3C[C@@H]2C)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001541649333 1071830124 /nfs/dbraw/zinc/83/01/24/1071830124.db2.gz COXZRMVGFCMFLI-OTWHNJEPSA-N 2 0 433.601 0.936 20 0 ICADRP CC(C)NC(=O)c1nnc(N2C[C@@H]3CCC[NH+]3C[C@H]2C)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001541649334 1071830173 /nfs/dbraw/zinc/83/01/73/1071830173.db2.gz COXZRMVGFCMFLI-QRVBRYPASA-N 2 0 433.601 0.936 20 0 ICADRP CC(C)NC(=O)c1nnc(N2C[C@@H]3CCC[NH+]3C[C@H]2C)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001541649335 1071830242 /nfs/dbraw/zinc/83/02/42/1071830242.db2.gz COXZRMVGFCMFLI-QYZOEREBSA-N 2 0 433.601 0.936 20 0 ICADRP CC(C)NC(=O)c1nnc(N2CC[C@@H](C[NH+]3CCCCC3)C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001541656457 1071833625 /nfs/dbraw/zinc/83/36/25/1071833625.db2.gz GWIKAXSGXHXMLX-AVRDEDQJSA-N 2 0 433.601 0.795 20 0 ICADRP CC(C)NC(=O)c1nnc(N2CC[C@H](C[NH+]3CCCCC3)C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001541656458 1071833551 /nfs/dbraw/zinc/83/35/51/1071833551.db2.gz GWIKAXSGXHXMLX-GCJKJVERSA-N 2 0 433.601 0.795 20 0 ICADRP CC(C)NC(=O)c1nnc(N2CC[C@@H](C[NH+]3CCCCC3)C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001541656459 1071834242 /nfs/dbraw/zinc/83/42/42/1071834242.db2.gz GWIKAXSGXHXMLX-PGRDOPGGSA-N 2 0 433.601 0.795 20 0 ICADRP CC(C)NC(=O)c1nnc(N2CC[C@H](C[NH+]3CCCCC3)C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001541656460 1071834605 /nfs/dbraw/zinc/83/46/05/1071834605.db2.gz GWIKAXSGXHXMLX-XMSQKQJNSA-N 2 0 433.601 0.795 20 0 ICADRP CC(C)NC(=O)c1nnc(N2CC[NH+](CC3CCOCC3)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001541677140 1071851728 /nfs/dbraw/zinc/85/17/28/1071851728.db2.gz QNXFFXSJCSWZTO-JOCHJYFZSA-N 2 0 449.600 0.032 20 0 ICADRP CC(C)NC(=O)c1nnc(N2CC[NH+](CC3CCOCC3)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001541677141 1071852015 /nfs/dbraw/zinc/85/20/15/1071852015.db2.gz QNXFFXSJCSWZTO-QFIPXVFZSA-N 2 0 449.600 0.032 20 0 ICADRP CC(C)[NH2+]C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[NH+]2CCCC2)CC1 ZINC001541707435 1071873647 /nfs/dbraw/zinc/87/36/47/1071873647.db2.gz PZEIIOGSYSESPE-INIZCTEOSA-N 2 0 427.619 0.951 20 0 ICADRP CC(C)[NH2+]C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[NH+]2CCCC2)CC1 ZINC001541707436 1071873550 /nfs/dbraw/zinc/87/35/50/1071873550.db2.gz PZEIIOGSYSESPE-MRXNPFEDSA-N 2 0 427.619 0.951 20 0 ICADRP C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1)[NH+](C)C ZINC001541833797 1071895464 /nfs/dbraw/zinc/89/54/64/1071895464.db2.gz LPMDPTDCJBLACG-GOSISDBHSA-N 2 0 446.600 0.209 20 0 ICADRP C[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1)[NH+](C)C ZINC001541833798 1071895664 /nfs/dbraw/zinc/89/56/64/1071895664.db2.gz LPMDPTDCJBLACG-SFHVURJKSA-N 2 0 446.600 0.209 20 0 ICADRP CC(C)[NH+]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)[NH+](C)C)CC1 ZINC001541855159 1071898921 /nfs/dbraw/zinc/89/89/21/1071898921.db2.gz DVBHQJDOQQCHEX-DLBZAZTESA-N 2 0 443.618 0.092 20 0 ICADRP CC(C)[NH+]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)[NH+](C)C)CC1 ZINC001541855160 1071899910 /nfs/dbraw/zinc/89/99/10/1071899910.db2.gz DVBHQJDOQQCHEX-IAGOWNOFSA-N 2 0 443.618 0.092 20 0 ICADRP CC(C)[NH+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)[NH+](C)C)CC1 ZINC001541855161 1071899622 /nfs/dbraw/zinc/89/96/22/1071899622.db2.gz DVBHQJDOQQCHEX-IRXDYDNUSA-N 2 0 443.618 0.092 20 0 ICADRP CC(C)[NH+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)[NH+](C)C)CC1 ZINC001541855162 1071899404 /nfs/dbraw/zinc/89/94/04/1071899404.db2.gz DVBHQJDOQQCHEX-SJORKVTESA-N 2 0 443.618 0.092 20 0 ICADRP C[C@@H](Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCNC(=O)C1)[NH+](C)C ZINC001541864127 1071901523 /nfs/dbraw/zinc/90/15/23/1071901523.db2.gz PFYVILXWIZQSNQ-IBGZPJMESA-N 2 0 440.596 0.529 20 0 ICADRP C[C@H](Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCNC(=O)C1)[NH+](C)C ZINC001541864128 1071901375 /nfs/dbraw/zinc/90/13/75/1071901375.db2.gz PFYVILXWIZQSNQ-LJQANCHMSA-N 2 0 440.596 0.529 20 0 ICADRP C[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)[NH+](C)C ZINC001541865137 1071901450 /nfs/dbraw/zinc/90/14/50/1071901450.db2.gz JVPWMMUGOFPEDP-MSOLQXFVSA-N 2 0 446.600 0.093 20 0 ICADRP C[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)[NH+](C)C ZINC001541865138 1071901425 /nfs/dbraw/zinc/90/14/25/1071901425.db2.gz JVPWMMUGOFPEDP-QZTJIDSGSA-N 2 0 446.600 0.093 20 0 ICADRP C[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)[NH+](C)C ZINC001541865139 1071901496 /nfs/dbraw/zinc/90/14/96/1071901496.db2.gz JVPWMMUGOFPEDP-ROUUACIJSA-N 2 0 446.600 0.093 20 0 ICADRP C[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)[NH+](C)C ZINC001541865140 1071901464 /nfs/dbraw/zinc/90/14/64/1071901464.db2.gz JVPWMMUGOFPEDP-ZWKOTPCHSA-N 2 0 446.600 0.093 20 0 ICADRP C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)n1CC[NH+]1CCCC1 ZINC001541920633 1071919880 /nfs/dbraw/zinc/91/98/80/1071919880.db2.gz BEFGMXNOAFRQIY-IKGGRYGDSA-N 2 0 425.603 0.657 20 0 ICADRP C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3CCC[N@@H+]3C[C@H]2C)n1CC[NH+]1CCCC1 ZINC001541920634 1071919918 /nfs/dbraw/zinc/91/99/18/1071919918.db2.gz BEFGMXNOAFRQIY-IXDOHACOSA-N 2 0 425.603 0.657 20 0 ICADRP C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)n1CC[NH+]1CCCC1 ZINC001541920635 1071919949 /nfs/dbraw/zinc/91/99/49/1071919949.db2.gz BEFGMXNOAFRQIY-ULQDDVLXSA-N 2 0 425.603 0.657 20 0 ICADRP C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)n1CC[NH+]1CCCC1 ZINC001541920636 1071919929 /nfs/dbraw/zinc/91/99/29/1071919929.db2.gz BEFGMXNOAFRQIY-YESZJQIVSA-N 2 0 425.603 0.657 20 0 ICADRP C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](C2CCCC2)CC1)[NH+](C)C ZINC001541943325 1071939845 /nfs/dbraw/zinc/93/98/45/1071939845.db2.gz UHJXBCIFFLQUAW-CVEARBPZSA-N 2 0 427.619 0.903 20 0 ICADRP C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](C2CCCC2)CC1)[NH+](C)C ZINC001541943326 1071939782 /nfs/dbraw/zinc/93/97/82/1071939782.db2.gz UHJXBCIFFLQUAW-HOTGVXAUSA-N 2 0 427.619 0.903 20 0 ICADRP C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](C2CCCC2)CC1)[NH+](C)C ZINC001541943327 1071939865 /nfs/dbraw/zinc/93/98/65/1071939865.db2.gz UHJXBCIFFLQUAW-HZPDHXFCSA-N 2 0 427.619 0.903 20 0 ICADRP C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCCC3)CC2)n1C[C@H](C)[NH+](C)C ZINC001541943328 1071939828 /nfs/dbraw/zinc/93/98/28/1071939828.db2.gz UHJXBCIFFLQUAW-JKSUJKDBSA-N 2 0 427.619 0.903 20 0 ICADRP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1C[C@H](C1CC1)[NH+](C)C ZINC001541946030 1071943199 /nfs/dbraw/zinc/94/31/99/1071943199.db2.gz OQUAADVJENOWBF-CGTJXYLNSA-N 2 0 439.630 0.903 20 0 ICADRP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001541946031 1071943312 /nfs/dbraw/zinc/94/33/12/1071943312.db2.gz OQUAADVJENOWBF-JQHSSLGASA-N 2 0 439.630 0.903 20 0 ICADRP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1C[C@H](C1CC1)[NH+](C)C ZINC001541946032 1071943376 /nfs/dbraw/zinc/94/33/76/1071943376.db2.gz OQUAADVJENOWBF-RYQLBKOJSA-N 2 0 439.630 0.903 20 0 ICADRP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001541946033 1071943269 /nfs/dbraw/zinc/94/32/69/1071943269.db2.gz OQUAADVJENOWBF-SZMVWBNQSA-N 2 0 439.630 0.903 20 0 ICADRP C[NH+](C)CCn1c2cc(C(=O)N3CCC([N@@H+]4CCC[C@@H]4C(N)=O)CC3)ccc2[nH]c1=O ZINC001542655748 1071992651 /nfs/dbraw/zinc/99/26/51/1071992651.db2.gz LFBFBZAWGKCDQS-GOSISDBHSA-N 2 0 428.537 0.858 20 0 ICADRP C[NH+](C)CCn1c2cc(C(=O)N3CCC([N@@H+]4CCC[C@H]4C(N)=O)CC3)ccc2[nH]c1=O ZINC001542655749 1071992752 /nfs/dbraw/zinc/99/27/52/1071992752.db2.gz LFBFBZAWGKCDQS-SFHVURJKSA-N 2 0 428.537 0.858 20 0 ICADRP Cc1nnc(N(C)CCNS(C)(=O)=O)n1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001543170519 1072047237 /nfs/dbraw/zinc/04/72/37/1072047237.db2.gz GKSSTQZDQAAVNB-UHFFFAOYSA-N 2 0 436.586 0.179 20 0 ICADRP Cc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001543301095 1072058171 /nfs/dbraw/zinc/05/81/71/1072058171.db2.gz KCOIDIZKCTXSMU-BJLQDIEVSA-N 2 0 433.601 0.829 20 0 ICADRP Cc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001543301096 1072058240 /nfs/dbraw/zinc/05/82/40/1072058240.db2.gz KCOIDIZKCTXSMU-GGPKGHCWSA-N 2 0 433.601 0.829 20 0 ICADRP Cc1nnc(N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001543301097 1072058340 /nfs/dbraw/zinc/05/83/40/1072058340.db2.gz KCOIDIZKCTXSMU-NSHGMRRFSA-N 2 0 433.601 0.829 20 0 ICADRP Cc1nnc(N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001543301098 1072057911 /nfs/dbraw/zinc/05/79/11/1072057911.db2.gz KCOIDIZKCTXSMU-WSTZPKSXSA-N 2 0 433.601 0.829 20 0 ICADRP Cc1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001543301497 1072058819 /nfs/dbraw/zinc/05/88/19/1072058819.db2.gz WDZXNYKWOODSPH-KDURUIRLSA-N 2 0 433.601 0.830 20 0 ICADRP Cc1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001543301502 1072058970 /nfs/dbraw/zinc/05/89/70/1072058970.db2.gz WDZXNYKWOODSPH-OALUTQOASA-N 2 0 433.601 0.830 20 0 ICADRP Cc1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001543301503 1072058807 /nfs/dbraw/zinc/05/88/07/1072058807.db2.gz WDZXNYKWOODSPH-RTBURBONSA-N 2 0 433.601 0.830 20 0 ICADRP Cc1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001543330236 1072064792 /nfs/dbraw/zinc/06/47/92/1072064792.db2.gz ALQSYIXCSOJTSB-PMACEKPBSA-N 2 0 433.601 0.688 20 0 ICADRP Cc1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001543330237 1072065060 /nfs/dbraw/zinc/06/50/60/1072065060.db2.gz ALQSYIXCSOJTSB-UXHICEINSA-N 2 0 433.601 0.688 20 0 ICADRP Cc1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001543330238 1072064663 /nfs/dbraw/zinc/06/46/63/1072064663.db2.gz ALQSYIXCSOJTSB-VQTJNVASSA-N 2 0 433.601 0.688 20 0 ICADRP Cc1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001543330239 1072064848 /nfs/dbraw/zinc/06/48/48/1072064848.db2.gz ALQSYIXCSOJTSB-WOJBJXKFSA-N 2 0 433.601 0.688 20 0 ICADRP Cc1nnc(N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)n1CC[NH+]1CCSCC1 ZINC001543330339 1072064887 /nfs/dbraw/zinc/06/48/87/1072064887.db2.gz DLAQOEDKRKLLQX-FQEVSTJZSA-N 2 0 437.658 0.867 20 0 ICADRP Cc1nnc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)n1CC[NH+]1CCSCC1 ZINC001543330340 1072064954 /nfs/dbraw/zinc/06/49/54/1072064954.db2.gz DLAQOEDKRKLLQX-HXUWFJFHSA-N 2 0 437.658 0.867 20 0 ICADRP CCN1CCC([NH+]2CCC(C(=O)Nc3cnn(CC(=O)NCC[NH+](C)C)c3)CC2)CC1 ZINC001543917031 1072093455 /nfs/dbraw/zinc/09/34/55/1072093455.db2.gz JSMFUGHRYBGLRA-UHFFFAOYSA-N 2 0 433.601 0.696 20 0 ICADRP CN1C(=O)CO[C@H](C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)[C@H]1c1cccnc1 ZINC001544376570 1072115184 /nfs/dbraw/zinc/11/51/84/1072115184.db2.gz SODPNHYPUKZNFY-YADHBBJMSA-N 2 0 438.532 0.703 20 0 ICADRP C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC001544912186 1072151534 /nfs/dbraw/zinc/15/15/34/1072151534.db2.gz RMGQAQYRKCOWBW-DLBZAZTESA-N 2 0 425.574 0.772 20 0 ICADRP C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC001544912187 1072151414 /nfs/dbraw/zinc/15/14/14/1072151414.db2.gz RMGQAQYRKCOWBW-IAGOWNOFSA-N 2 0 425.574 0.772 20 0 ICADRP C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC001544912188 1072151551 /nfs/dbraw/zinc/15/15/51/1072151551.db2.gz RMGQAQYRKCOWBW-IRXDYDNUSA-N 2 0 425.574 0.772 20 0 ICADRP C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC001544912189 1072151477 /nfs/dbraw/zinc/15/14/77/1072151477.db2.gz RMGQAQYRKCOWBW-SJORKVTESA-N 2 0 425.574 0.772 20 0 ICADRP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOCC[NH+](C)C ZINC001545103446 1072167173 /nfs/dbraw/zinc/16/71/73/1072167173.db2.gz FEDINIHYGLWXEV-FGTMMUONSA-N 2 0 440.614 0.431 20 0 ICADRP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOCC[NH+](C)C ZINC001545103447 1072167049 /nfs/dbraw/zinc/16/70/49/1072167049.db2.gz FEDINIHYGLWXEV-KURKYZTESA-N 2 0 440.614 0.431 20 0 ICADRP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOCC[NH+](C)C ZINC001545103448 1072167159 /nfs/dbraw/zinc/16/71/59/1072167159.db2.gz FEDINIHYGLWXEV-KZNAEPCWSA-N 2 0 440.614 0.431 20 0 ICADRP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOCC[NH+](C)C ZINC001545103449 1072166832 /nfs/dbraw/zinc/16/68/32/1072166832.db2.gz FEDINIHYGLWXEV-SQNIBIBYSA-N 2 0 440.614 0.431 20 0 ICADRP CCc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1CCC[NH+]1CCC(O)CC1 ZINC001546522248 1072211939 /nfs/dbraw/zinc/21/19/39/1072211939.db2.gz QIWRHAGIEMQUNT-IBGZPJMESA-N 2 0 433.601 0.430 20 0 ICADRP CCc1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1CCC[NH+]1CCC(O)CC1 ZINC001546522249 1072212057 /nfs/dbraw/zinc/21/20/57/1072212057.db2.gz QIWRHAGIEMQUNT-LJQANCHMSA-N 2 0 433.601 0.430 20 0 ICADRP CCc1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001546522659 1072211990 /nfs/dbraw/zinc/21/19/90/1072211990.db2.gz GAELZOSZESGGKW-UHFFFAOYSA-N 2 0 447.628 0.820 20 0 ICADRP CCC[C@@H]1CN(c2nnc([C@H]3CCOC3)n2C[C@]2(O)CC[NH+](C)C2)CC[N@@H+]1CCOC ZINC001546955453 1072249270 /nfs/dbraw/zinc/24/92/70/1072249270.db2.gz WPNWXUAMUKRXLB-JQVVWYNYSA-N 2 0 436.601 0.786 20 0 ICADRP CCC[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2C[C@]2(O)CC[NH+](C)C2)CC[N@@H+]1CCOC ZINC001546955454 1072249309 /nfs/dbraw/zinc/24/93/09/1072249309.db2.gz WPNWXUAMUKRXLB-KNKQGSTJSA-N 2 0 436.601 0.786 20 0 ICADRP CCC[C@@H]1CN(c2nnc([C@H]3CCOC3)n2C[C@@]2(O)CC[NH+](C)C2)CC[N@@H+]1CCOC ZINC001546955455 1072249085 /nfs/dbraw/zinc/24/90/85/1072249085.db2.gz WPNWXUAMUKRXLB-NNMXDRDESA-N 2 0 436.601 0.786 20 0 ICADRP CCC[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2C[C@@]2(O)CC[NH+](C)C2)CC[N@@H+]1CCOC ZINC001546955456 1072249190 /nfs/dbraw/zinc/24/91/90/1072249190.db2.gz WPNWXUAMUKRXLB-WOIUINJBSA-N 2 0 436.601 0.786 20 0 ICADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cnccn3)n2CC[NH+]2CCCC2)CC1 ZINC001547475899 1072297723 /nfs/dbraw/zinc/29/77/23/1072297723.db2.gz VATYZJKZRQXAED-UHFFFAOYSA-N 2 0 441.584 0.821 20 0 ICADRP CC[N@@H+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2(O)CC[NH+](C)C2)C[C@@H]1C ZINC001547706817 1072332911 /nfs/dbraw/zinc/33/29/11/1072332911.db2.gz BZEVYPLXLUVLRR-HRAATJIYSA-N 2 0 428.541 0.522 20 0 ICADRP CC[N@@H+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@]2(O)CC[NH+](C)C2)C[C@H]1C ZINC001547706820 1072332423 /nfs/dbraw/zinc/33/24/23/1072332423.db2.gz BZEVYPLXLUVLRR-IERDGZPVSA-N 2 0 428.541 0.522 20 0 ICADRP CC[N@@H+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2(O)CC[NH+](C)C2)C[C@H]1C ZINC001547706870 1072332752 /nfs/dbraw/zinc/33/27/52/1072332752.db2.gz BZEVYPLXLUVLRR-IIBYNOLFSA-N 2 0 428.541 0.522 20 0 ICADRP CC[N@@H+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@]2(O)CC[NH+](C)C2)C[C@@H]1C ZINC001547706871 1072332563 /nfs/dbraw/zinc/33/25/63/1072332563.db2.gz BZEVYPLXLUVLRR-KKSFZXQISA-N 2 0 428.541 0.522 20 0 ICADRP CC[N@H+](CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](CC)[C@H](C)C1)C1CC1 ZINC001547708628 1072334281 /nfs/dbraw/zinc/33/42/81/1072334281.db2.gz OWSPVDJXDCJIOH-CVEARBPZSA-N 2 0 427.619 0.903 20 0 ICADRP CC[N@H+](CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](CC)[C@@H](C)C1)C1CC1 ZINC001547708629 1072334012 /nfs/dbraw/zinc/33/40/12/1072334012.db2.gz OWSPVDJXDCJIOH-HOTGVXAUSA-N 2 0 427.619 0.903 20 0 ICADRP CC[N@H+](CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](CC)[C@H](C)C1)C1CC1 ZINC001547708631 1072334350 /nfs/dbraw/zinc/33/43/50/1072334350.db2.gz OWSPVDJXDCJIOH-HZPDHXFCSA-N 2 0 427.619 0.903 20 0 ICADRP CC[N@H+](CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](CC)[C@@H](C)C1)C1CC1 ZINC001547708633 1072334127 /nfs/dbraw/zinc/33/41/27/1072334127.db2.gz OWSPVDJXDCJIOH-JKSUJKDBSA-N 2 0 427.619 0.903 20 0 ICADRP CC[N@@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001547709727 1072334223 /nfs/dbraw/zinc/33/42/23/1072334223.db2.gz ZXBCMDPOKIRKOR-HLLBOEOZSA-N 2 0 427.619 0.759 20 0 ICADRP CC[N@@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001547709729 1072333955 /nfs/dbraw/zinc/33/39/55/1072333955.db2.gz ZXBCMDPOKIRKOR-VYDXJSESSA-N 2 0 427.619 0.759 20 0 ICADRP CC[N@@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C2CC2)[NH+](C)C)C[C@@H]1C ZINC001547709731 1072334448 /nfs/dbraw/zinc/33/44/48/1072334448.db2.gz ZXBCMDPOKIRKOR-YQQAZPJKSA-N 2 0 427.619 0.759 20 0 ICADRP CC[N@@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C2CC2)[NH+](C)C)C[C@@H]1C ZINC001547709733 1072334061 /nfs/dbraw/zinc/33/40/61/1072334061.db2.gz ZXBCMDPOKIRKOR-ZOBUZTSGSA-N 2 0 427.619 0.759 20 0 ICADRP CC[N@@H+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)[NH+](C)C)C[C@H]1C ZINC001547718742 1072336049 /nfs/dbraw/zinc/33/60/49/1072336049.db2.gz MQKOXJVPFFTWQT-BBWFWOEESA-N 2 0 443.618 0.092 20 0 ICADRP CC[N@@H+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)[NH+](C)C)C[C@@H]1C ZINC001547718743 1072335809 /nfs/dbraw/zinc/33/58/09/1072335809.db2.gz MQKOXJVPFFTWQT-IKGGRYGDSA-N 2 0 443.618 0.092 20 0 ICADRP CC[N@@H+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)[NH+](C)C)C[C@@H]1C ZINC001547718744 1072335765 /nfs/dbraw/zinc/33/57/65/1072335765.db2.gz MQKOXJVPFFTWQT-ULQDDVLXSA-N 2 0 443.618 0.092 20 0 ICADRP CC[N@@H+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)[NH+](C)C)C[C@H]1C ZINC001547718745 1072336085 /nfs/dbraw/zinc/33/60/85/1072336085.db2.gz MQKOXJVPFFTWQT-ZACQAIPSSA-N 2 0 443.618 0.092 20 0 ICADRP CC[NH+]1CCN([C@H]2CCN(c3nnc(C)n3CCC[N@@H+]3CCC[C@@H]3C(=O)N(C)C)C2)CC1 ZINC001547723234 1072337198 /nfs/dbraw/zinc/33/71/98/1072337198.db2.gz BWVQWPMSNMMAGE-LEWJYISDSA-N 2 0 446.644 0.745 20 0 ICADRP CC[NH+]1CCN([C@@H]2CCN(c3nnc(C)n3CCC[N@@H+]3CCC[C@@H]3C(=O)N(C)C)C2)CC1 ZINC001547723237 1072337325 /nfs/dbraw/zinc/33/73/25/1072337325.db2.gz BWVQWPMSNMMAGE-NHCUHLMSSA-N 2 0 446.644 0.745 20 0 ICADRP CC[NH+]1CCN([C@@H]2CCN(c3nnc(C)n3CCC[N@@H+]3CCC[C@H]3C(=O)N(C)C)C2)CC1 ZINC001547723240 1072337365 /nfs/dbraw/zinc/33/73/65/1072337365.db2.gz BWVQWPMSNMMAGE-RTWAWAEBSA-N 2 0 446.644 0.745 20 0 ICADRP CC[NH+]1CCN([C@H]2CCN(c3nnc(C)n3CCC[N@@H+]3CCC[C@H]3C(=O)N(C)C)C2)CC1 ZINC001547723242 1072337425 /nfs/dbraw/zinc/33/74/25/1072337425.db2.gz BWVQWPMSNMMAGE-SFTDATJTSA-N 2 0 446.644 0.745 20 0 ICADRP CC[NH+]1CCN([C@H]2CCN(c3nnc(-c4cnccn4)n3CCOCC[NH+](C)C)C2)CC1 ZINC001547724600 1072338374 /nfs/dbraw/zinc/33/83/74/1072338374.db2.gz RSJQEAKVEMUETR-IBGZPJMESA-N 2 0 443.600 0.530 20 0 ICADRP CC[NH+]1CCN([C@@H]2CCN(c3nnc(-c4cnccn4)n3CCOCC[NH+](C)C)C2)CC1 ZINC001547724601 1072338135 /nfs/dbraw/zinc/33/81/35/1072338135.db2.gz RSJQEAKVEMUETR-LJQANCHMSA-N 2 0 443.600 0.530 20 0 ICADRP CC[NH+]1CCN([C@H]2CCN(c3nnc(-c4cnn(C)c4)n3CCOCC[NH+](C)C)C2)CC1 ZINC001547725825 1072339010 /nfs/dbraw/zinc/33/90/10/1072339010.db2.gz ZXNSIVTXJISGSD-FQEVSTJZSA-N 2 0 445.616 0.473 20 0 ICADRP CC[NH+]1CCN([C@@H]2CCN(c3nnc(-c4cnn(C)c4)n3CCOCC[NH+](C)C)C2)CC1 ZINC001547725826 1072338880 /nfs/dbraw/zinc/33/88/80/1072338880.db2.gz ZXNSIVTXJISGSD-HXUWFJFHSA-N 2 0 445.616 0.473 20 0 ICADRP CC[NH+]1CCN(CCCn2c(C(=O)NC(C)C)nnc2N2CC[NH+](C(C)C)CC2)CC1 ZINC001547734161 1072341654 /nfs/dbraw/zinc/34/16/54/1072341654.db2.gz ORPWEYVQNZXDKB-UHFFFAOYSA-N 2 0 434.633 0.974 20 0 ICADRP CCO[C@]1(c2nnc(N3CCC[NH+](C(C)C)CC3)n2C[C@]2(O)CC[N@H+](C)C2)CCOC1 ZINC001547909476 1072383448 /nfs/dbraw/zinc/38/34/48/1072383448.db2.gz QJWQOSLHWRMJSM-FCHUYYIVSA-N 2 0 436.601 0.917 20 0 ICADRP CCO[C@]1(c2nnc(N3CCC[NH+](C(C)C)CC3)n2C[C@@]2(O)CC[N@H+](C)C2)CCOC1 ZINC001547909480 1072383484 /nfs/dbraw/zinc/38/34/84/1072383484.db2.gz QJWQOSLHWRMJSM-FGZHOGPDSA-N 2 0 436.601 0.917 20 0 ICADRP CCO[C@@]1(c2nnc(N3CCC[NH+](C(C)C)CC3)n2C[C@]2(O)CC[N@H+](C)C2)CCOC1 ZINC001547909483 1072383466 /nfs/dbraw/zinc/38/34/66/1072383466.db2.gz QJWQOSLHWRMJSM-VXKWHMMOSA-N 2 0 436.601 0.917 20 0 ICADRP CCO[C@@]1(c2nnc(N3CCC[NH+](C(C)C)CC3)n2C[C@@]2(O)CC[N@H+](C)C2)CCOC1 ZINC001547909488 1072383406 /nfs/dbraw/zinc/38/34/06/1072383406.db2.gz QJWQOSLHWRMJSM-YADHBBJMSA-N 2 0 436.601 0.917 20 0 ICADRP CCOCc1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1C[C@H](C)N1CC[NH+](CC)CC1 ZINC001548181348 1072422390 /nfs/dbraw/zinc/42/23/90/1072422390.db2.gz MILDWDXOILDFKC-LEWJYISDSA-N 2 0 449.644 0.999 20 0 ICADRP CCOCc1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1C[C@@H](C)N1CC[NH+](CC)CC1 ZINC001548181349 1072422460 /nfs/dbraw/zinc/42/24/60/1072422460.db2.gz MILDWDXOILDFKC-NHCUHLMSSA-N 2 0 449.644 0.999 20 0 ICADRP CCOCc1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1C[C@@H](C)N1CC[NH+](CC)CC1 ZINC001548181350 1072422476 /nfs/dbraw/zinc/42/24/76/1072422476.db2.gz MILDWDXOILDFKC-RTWAWAEBSA-N 2 0 449.644 0.999 20 0 ICADRP CCOCc1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1C[C@H](C)N1CC[NH+](CC)CC1 ZINC001548181351 1072422382 /nfs/dbraw/zinc/42/23/82/1072422382.db2.gz MILDWDXOILDFKC-SFTDATJTSA-N 2 0 449.644 0.999 20 0 ICADRP CCOCC[N@@H+]1CCN(c2nnc(-c3cnccn3)n2C[C@]2(O)CC[NH+](C)C2)C[C@@H]1CC ZINC001548282486 1072436239 /nfs/dbraw/zinc/43/62/39/1072436239.db2.gz INHFFASLEDXJED-AVRDEDQJSA-N 2 0 444.584 0.739 20 0 ICADRP CCOCC[N@@H+]1CCN(c2nnc(-c3cnccn3)n2C[C@]2(O)CC[NH+](C)C2)C[C@H]1CC ZINC001548282488 1072436269 /nfs/dbraw/zinc/43/62/69/1072436269.db2.gz INHFFASLEDXJED-GCJKJVERSA-N 2 0 444.584 0.739 20 0 ICADRP CCOCC[N@@H+]1CCN(c2nnc(-c3cnccn3)n2C[C@@]2(O)CC[NH+](C)C2)C[C@@H]1CC ZINC001548282490 1072436337 /nfs/dbraw/zinc/43/63/37/1072436337.db2.gz INHFFASLEDXJED-PGRDOPGGSA-N 2 0 444.584 0.739 20 0 ICADRP CCOCC[N@@H+]1CCN(c2nnc(-c3cnccn3)n2C[C@@]2(O)CC[NH+](C)C2)C[C@H]1CC ZINC001548282492 1072436213 /nfs/dbraw/zinc/43/62/13/1072436213.db2.gz INHFFASLEDXJED-XMSQKQJNSA-N 2 0 444.584 0.739 20 0 ICADRP C[NH+](C)CCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001552874879 1072505526 /nfs/dbraw/zinc/50/55/26/1072505526.db2.gz FAHWHJYBHIVXKE-MOPGFXCFSA-N 2 0 449.600 0.356 20 0 ICADRP C[NH+](C)CCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001552874880 1072505548 /nfs/dbraw/zinc/50/55/48/1072505548.db2.gz FAHWHJYBHIVXKE-RTBURBONSA-N 2 0 449.600 0.356 20 0 ICADRP C[NH+](C)CCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001552874904 1072505474 /nfs/dbraw/zinc/50/54/74/1072505474.db2.gz FUFCJRIHNKZCTL-IBGZPJMESA-N 2 0 449.600 0.356 20 0 ICADRP C[NH+](C)CCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001552874905 1072505947 /nfs/dbraw/zinc/50/59/47/1072505947.db2.gz FUFCJRIHNKZCTL-LJQANCHMSA-N 2 0 449.600 0.356 20 0 ICADRP COCCC[N@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001555485932 1072784628 /nfs/dbraw/zinc/78/46/28/1072784628.db2.gz YZBQSQJGEYXRCI-UHFFFAOYSA-N 2 0 446.600 0.948 20 0 ICADRP COCC[N@H+](C)CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001555521680 1072792650 /nfs/dbraw/zinc/79/26/50/1072792650.db2.gz DIFTWOXSWWMIGF-IBGZPJMESA-N 2 0 449.600 0.499 20 0 ICADRP COCC[N@H+](C)CCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001555521681 1072792399 /nfs/dbraw/zinc/79/23/99/1072792399.db2.gz DIFTWOXSWWMIGF-LJQANCHMSA-N 2 0 449.600 0.499 20 0 ICADRP COCC[N@H+](C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](C2CCOCC2)C[C@@H]1C ZINC001555526713 1072794373 /nfs/dbraw/zinc/79/43/73/1072794373.db2.gz CHTWJZFYQYPSFK-HKUYNNGSSA-N 2 0 449.600 0.497 20 0 ICADRP COCC[N@H+](C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](C2CCOCC2)C[C@@H]1C ZINC001555526714 1072794433 /nfs/dbraw/zinc/79/44/33/1072794433.db2.gz CHTWJZFYQYPSFK-PKOBYXMFSA-N 2 0 449.600 0.497 20 0 ICADRP COCC[N@H+](C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001555526793 1072794332 /nfs/dbraw/zinc/79/43/32/1072794332.db2.gz FVBPPIQYHBPXJL-OALUTQOASA-N 2 0 449.600 0.356 20 0 ICADRP COCC[N@H+](C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001555526794 1072794487 /nfs/dbraw/zinc/79/44/87/1072794487.db2.gz FVBPPIQYHBPXJL-RBUKOAKNSA-N 2 0 449.600 0.356 20 0 ICADRP COCC[N@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001555527289 1072795379 /nfs/dbraw/zinc/79/53/79/1072795379.db2.gz NATGTFNHSFIBFI-UHFFFAOYSA-N 2 0 446.600 0.805 20 0 ICADRP COCC[N@H+](C)CCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001555527570 1072796376 /nfs/dbraw/zinc/79/63/76/1072796376.db2.gz IWTZCSVUPRTPPZ-MOPGFXCFSA-N 2 0 449.600 0.103 20 0 ICADRP COCC[N@H+](C)CCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001555527571 1072796085 /nfs/dbraw/zinc/79/60/85/1072796085.db2.gz IWTZCSVUPRTPPZ-OALUTQOASA-N 2 0 449.600 0.103 20 0 ICADRP COCC[N@H+](C)CCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001555527574 1072796345 /nfs/dbraw/zinc/79/63/45/1072796345.db2.gz IWTZCSVUPRTPPZ-RBUKOAKNSA-N 2 0 449.600 0.103 20 0 ICADRP COCC[N@H+](C)CCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001555527576 1072796005 /nfs/dbraw/zinc/79/60/05/1072796005.db2.gz IWTZCSVUPRTPPZ-RTBURBONSA-N 2 0 449.600 0.103 20 0 ICADRP Cc1c(C(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)nnn1-c1cccc2c1CC[N@H+](C)C2 ZINC001557161340 1073018245 /nfs/dbraw/zinc/01/82/45/1073018245.db2.gz CQNRRSLKKNYCGS-INIZCTEOSA-N 2 0 425.537 0.756 20 0 ICADRP Cc1c(C(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)nnn1-c1cccc2c1CC[N@H+](C)C2 ZINC001557161348 1073018434 /nfs/dbraw/zinc/01/84/34/1073018434.db2.gz CQNRRSLKKNYCGS-MRXNPFEDSA-N 2 0 425.537 0.756 20 0 ICADRP C[NH+](C)C[C@@H]1CN(C(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)C[C@H]1C[NH+](C)C ZINC001557930557 1073100533 /nfs/dbraw/zinc/10/05/33/1073100533.db2.gz GCRDZYRIQUOUDD-IAGOWNOFSA-N 2 0 425.574 0.264 20 0 ICADRP C[NH+](C)C[C@@H]1CN(C(=O)CCC(=O)N2CCN(c3ccccn3)CC2)C[C@H]1C[NH+](C)C ZINC001557930755 1073100451 /nfs/dbraw/zinc/10/04/51/1073100451.db2.gz NHLKFHRTUWGRSY-WOJBJXKFSA-N 2 0 430.597 0.708 20 0 ICADRP COc1cccc(C[C@@H](C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)n2nnnc2C)c1 ZINC001557930993 1073100513 /nfs/dbraw/zinc/10/05/13/1073100513.db2.gz XXLDFARKGLHCTI-SBHAEUEKSA-N 2 0 429.569 0.972 20 0 ICADRP COc1cccc(C[C@H](C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)n2nnnc2C)c1 ZINC001557930994 1073100528 /nfs/dbraw/zinc/10/05/28/1073100528.db2.gz XXLDFARKGLHCTI-SFHLNBCPSA-N 2 0 429.569 0.972 20 0 ICADRP COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1 ZINC001557931095 1073100482 /nfs/dbraw/zinc/10/04/82/1073100482.db2.gz RBBBYZYYIREXQZ-GVDBMIGSSA-N 2 0 426.583 0.560 20 0 ICADRP C[NH+](C)C[C@@H]1CN(C(=O)c2cccc(S(=O)(=O)N=S(C)(C)=O)c2)C[C@H]1C[NH+](C)C ZINC001557931265 1073100408 /nfs/dbraw/zinc/10/04/08/1073100408.db2.gz BLWTVPZRCFMYDJ-IAGOWNOFSA-N 2 0 444.623 0.914 20 0 ICADRP C[NH+](C)C[C@@H]1CN(C(=O)c2cnnn2C2CN(C(=O)OC(C)(C)C)C2)C[C@H]1C[NH+](C)C ZINC001557932972 1073101071 /nfs/dbraw/zinc/10/10/71/1073101071.db2.gz SIXQYJFVNFCMJA-HZPDHXFCSA-N 2 0 435.573 0.881 20 0 ICADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2C[C@@H](O)CN2C(=O)Cc2ccccc2F)C[C@H]1C[NH+](C)C ZINC001557933161 1073101088 /nfs/dbraw/zinc/10/10/88/1073101088.db2.gz UWVMNAABYSSDRV-ANTGDGSKSA-N 2 0 434.556 0.528 20 0 ICADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2C[C@H](O)CN2C(=O)Cc2ccccc2F)C[C@H]1C[NH+](C)C ZINC001557933162 1073101049 /nfs/dbraw/zinc/10/10/49/1073101049.db2.gz UWVMNAABYSSDRV-BNDYYXHWSA-N 2 0 434.556 0.528 20 0 ICADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2C[C@H](O)CN2C(=O)Cc2ccccc2F)C[C@H]1C[NH+](C)C ZINC001557933163 1073101013 /nfs/dbraw/zinc/10/10/13/1073101013.db2.gz UWVMNAABYSSDRV-WERVVEIQSA-N 2 0 434.556 0.528 20 0 ICADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2C[C@@H](O)CN2C(=O)Cc2ccccc2F)C[C@H]1C[NH+](C)C ZINC001557933164 1073100973 /nfs/dbraw/zinc/10/09/73/1073100973.db2.gz UWVMNAABYSSDRV-XCJLJZCSSA-N 2 0 434.556 0.528 20 0 ICADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)CC1 ZINC001559916609 1073255775 /nfs/dbraw/zinc/25/57/75/1073255775.db2.gz DFLZKJQMYNQORW-UHFFFAOYSA-N 2 0 425.599 0.881 20 0 ICADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CC(=O)Nc2cc(S(N)(=O)=O)ccc2OC)CC1 ZINC001559917331 1073255558 /nfs/dbraw/zinc/25/55/58/1073255558.db2.gz YXMNBNBLUNRALJ-UHFFFAOYSA-N 2 0 427.571 0.287 20 0 ICADRP C[NH+](C)CCCN(CCC[NH+](C)C)S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001561073840 1073297362 /nfs/dbraw/zinc/29/73/62/1073297362.db2.gz RUYPTZPCKUKEML-UHFFFAOYSA-N 2 0 435.635 0.989 20 0 ICADRP C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2cccc(S(=O)(=O)NC3CC3)c2)C[C@H]1C[NH+](C)C ZINC001561827173 1073380259 /nfs/dbraw/zinc/38/02/59/1073380259.db2.gz BBNSSLCPOWPNQU-HZPDHXFCSA-N 2 0 444.623 0.487 20 0 ICADRP CC(=O)N1CCc2ccc(S(=O)(=O)N3C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C3)cc2CC1 ZINC001561827337 1073380305 /nfs/dbraw/zinc/38/03/05/1073380305.db2.gz HFWSJFJROBVYIV-NHCUHLMSSA-N 2 0 436.622 0.994 20 0 ICADRP C[NH+](C)C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C[C@H]1C[NH+](C)C ZINC001561827475 1073380225 /nfs/dbraw/zinc/38/02/25/1073380225.db2.gz LKJNXVNCMDNUOD-IAGOWNOFSA-N 2 0 433.619 0.455 20 0 ICADRP CCOC(=O)C(=O)c1cc(S(=O)(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cn1C ZINC001561827688 1073380250 /nfs/dbraw/zinc/38/02/50/1073380250.db2.gz RRHAMBZJQSUVJL-HUUCEWRRSA-N 2 0 428.555 0.131 20 0 ICADRP CCNS(=O)(=O)c1ccccc1S(=O)(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001561827706 1073380183 /nfs/dbraw/zinc/38/01/83/1073380183.db2.gz SHIZGNPYXZKHLH-HZPDHXFCSA-N 2 0 432.612 0.345 20 0 ICADRP CN1CC[N@H+](CCCNC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)[C@H](c2ccccc2)C1 ZINC001563487956 1073490758 /nfs/dbraw/zinc/49/07/58/1073490758.db2.gz QGDNUIUXUNCJON-NRFANRHFSA-N 2 0 430.597 0.781 20 0 ICADRP CN1CC[N@H+](CCCNC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)[C@@H](c2ccccc2)C1 ZINC001563487957 1073490917 /nfs/dbraw/zinc/49/09/17/1073490917.db2.gz QGDNUIUXUNCJON-OAQYLSRUSA-N 2 0 430.597 0.781 20 0 ICADRP Cc1ccc(S(=O)(=O)NCCNC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1 ZINC001563532131 1073493691 /nfs/dbraw/zinc/49/36/91/1073493691.db2.gz YQHZMZOFKZIIIN-QZTJIDSGSA-N 2 0 425.599 0.654 20 0 ICADRP C[NH+](C)C[C@@H]1CN(C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)C[C@H]1C[NH+](C)C ZINC001563567593 1073497527 /nfs/dbraw/zinc/49/75/27/1073497527.db2.gz SPIFEOYATZXHJB-WOJBJXKFSA-N 2 0 444.580 0.139 20 0 ICADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CCN(CCc2cnccn2)CC1 ZINC001563816559 1073513421 /nfs/dbraw/zinc/51/34/21/1073513421.db2.gz POCLUAVEZMSIGL-UHFFFAOYSA-N 2 0 438.580 0.954 20 0 ICADRP C[NH+]1CCN(c2ncccc2CNC(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CC1 ZINC001563824996 1073514209 /nfs/dbraw/zinc/51/42/09/1073514209.db2.gz JNVXBDHNLLKHBR-UHFFFAOYSA-N 2 0 445.612 0.429 20 0 ICADRP C[NH+]1CCN(c2ncccc2CNC(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)CC1 ZINC001563825358 1073513992 /nfs/dbraw/zinc/51/39/92/1073513992.db2.gz WJDWUQXIHWGYBD-NRFANRHFSA-N 2 0 445.612 0.429 20 0 ICADRP C[NH+]1CCN(c2ncccc2CNC(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)CC1 ZINC001563825359 1073514112 /nfs/dbraw/zinc/51/41/12/1073514112.db2.gz WJDWUQXIHWGYBD-OAQYLSRUSA-N 2 0 445.612 0.429 20 0 ICADRP CN1CC[NH+](C2CCN(C(=O)NCc3cccc(C(=O)NCC[NH+](C)C)c3)CC2)CC1 ZINC001563927086 1073522502 /nfs/dbraw/zinc/52/25/02/1073522502.db2.gz FPDNOQABTNDRME-UHFFFAOYSA-N 2 0 430.597 0.899 20 0 ICADRP C[NH+](C)C[C@@H]1CN(C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C[C@H]1C[NH+](C)C ZINC001564236110 1073541169 /nfs/dbraw/zinc/54/11/69/1073541169.db2.gz LMKZUSPILWUUAS-WOJBJXKFSA-N 3 0 438.661 0.994 20 0 ICADRP C[C@H]1CN(C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC001564921641 1071770516 /nfs/dbraw/zinc/77/05/16/1071770516.db2.gz JEOXHBWGWCLZBC-LEWJYISDSA-N 2 0 436.645 0.450 20 0 ICADRP C[C@@H]1CN(C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC001564921642 1071770619 /nfs/dbraw/zinc/77/06/19/1071770619.db2.gz JEOXHBWGWCLZBC-NHCUHLMSSA-N 2 0 436.645 0.450 20 0 ICADRP C[C@@H]1CN(C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC001564921643 1071770711 /nfs/dbraw/zinc/77/07/11/1071770711.db2.gz JEOXHBWGWCLZBC-RTWAWAEBSA-N 2 0 436.645 0.450 20 0 ICADRP C[C@H]1CN(C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC001564921644 1071770728 /nfs/dbraw/zinc/77/07/28/1071770728.db2.gz JEOXHBWGWCLZBC-SFTDATJTSA-N 2 0 436.645 0.450 20 0 ICADRP C[NH+]1CCC(CNC(=O)N2CCC(CC[NH+]3CCOCC3)CC2)(N2CCOCC2)CC1 ZINC001564922309 1071771275 /nfs/dbraw/zinc/77/12/75/1071771275.db2.gz UWBLKDDGUWXRFC-UHFFFAOYSA-N 2 0 437.629 0.927 20 0 ICADRP CC1(C)CN(C(=O)NCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)CC[N@@H+]1CCO ZINC001564928846 1071771714 /nfs/dbraw/zinc/77/17/14/1071771714.db2.gz OMTUYRWKIFEMLC-UHFFFAOYSA-N 2 0 431.581 0.982 20 0 ICADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCCNC(=O)c1ccc(Br)cn1 ZINC001565059498 1071787825 /nfs/dbraw/zinc/78/78/25/1071787825.db2.gz PVKYEJGEWNMIOJ-UHFFFAOYSA-N 2 0 429.363 0.709 20 0 ICADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCCCN(CC(=O)OC(C)(C)C)C1=O ZINC001565247115 1071807520 /nfs/dbraw/zinc/80/75/20/1071807520.db2.gz MQNQPHQSAOGNFX-KRWDZBQOSA-N 2 0 427.590 0.844 20 0 ICADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCCCN(CC(=O)OC(C)(C)C)C1=O ZINC001565247116 1071807489 /nfs/dbraw/zinc/80/74/89/1071807489.db2.gz MQNQPHQSAOGNFX-QGZVFWFLSA-N 2 0 427.590 0.844 20 0 ICADRP CCC[C@@H]1CN(C(=O)N[C@H]2CCC[NH+](CCN3CCOCC3)C2)CC[N@@H+]1CCOC ZINC001565265633 1071810178 /nfs/dbraw/zinc/81/01/78/1071810178.db2.gz SJPKFEQBYISWMZ-LEWJYISDSA-N 2 0 425.618 0.925 20 0 ICADRP CCC[C@@H]1CN(C(=O)N[C@@H]2CCC[NH+](CCN3CCOCC3)C2)CC[N@@H+]1CCOC ZINC001565265634 1071810273 /nfs/dbraw/zinc/81/02/73/1071810273.db2.gz SJPKFEQBYISWMZ-NHCUHLMSSA-N 2 0 425.618 0.925 20 0 ICADRP CCC[C@H]1CN(C(=O)N[C@@H]2CCC[NH+](CCN3CCOCC3)C2)CC[N@@H+]1CCOC ZINC001565265635 1071809995 /nfs/dbraw/zinc/80/99/95/1071809995.db2.gz SJPKFEQBYISWMZ-RTWAWAEBSA-N 2 0 425.618 0.925 20 0 ICADRP CCC[C@H]1CN(C(=O)N[C@H]2CCC[NH+](CCN3CCOCC3)C2)CC[N@@H+]1CCOC ZINC001565265636 1071809769 /nfs/dbraw/zinc/80/97/69/1071809769.db2.gz SJPKFEQBYISWMZ-SFTDATJTSA-N 2 0 425.618 0.925 20 0 ICADRP O=C(NC[C@]1(O)CC[NH+](Cc2ccccc2)C1)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001565265648 1071811179 /nfs/dbraw/zinc/81/11/79/1071811179.db2.gz SNGVCBLEVDZJJQ-ISKFKSNPSA-N 2 0 445.608 0.719 20 0 ICADRP O=C(NC[C@]1(O)CC[NH+](Cc2ccccc2)C1)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001565265649 1071810935 /nfs/dbraw/zinc/81/09/35/1071810935.db2.gz SNGVCBLEVDZJJQ-LADGPHEKSA-N 2 0 445.608 0.719 20 0 ICADRP O=C(NC[C@@]1(O)CC[NH+](Cc2ccccc2)C1)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001565265650 1071810809 /nfs/dbraw/zinc/81/08/09/1071810809.db2.gz SNGVCBLEVDZJJQ-UPVQGACJSA-N 2 0 445.608 0.719 20 0 ICADRP O=C(NC[C@@]1(O)CC[NH+](Cc2ccccc2)C1)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001565265651 1071811241 /nfs/dbraw/zinc/81/12/41/1071811241.db2.gz SNGVCBLEVDZJJQ-VWNXMTODSA-N 2 0 445.608 0.719 20 0 ICADRP C[C@@H](CNC(=O)NCC[NH+]1CCC(NC(=O)OC(C)(C)C)CC1)N1CC[NH+](C)CC1 ZINC001565338064 1071822501 /nfs/dbraw/zinc/82/25/01/1071822501.db2.gz OBCZXYSLXOEHMW-KRWDZBQOSA-N 2 0 426.606 0.911 20 0 ICADRP C[C@H](CNC(=O)NCC[NH+]1CCC(NC(=O)OC(C)(C)C)CC1)N1CC[NH+](C)CC1 ZINC001565338065 1071823170 /nfs/dbraw/zinc/82/31/70/1071823170.db2.gz OBCZXYSLXOEHMW-QGZVFWFLSA-N 2 0 426.606 0.911 20 0 ICADRP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NCC[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001565338316 1071823123 /nfs/dbraw/zinc/82/31/23/1071823123.db2.gz WXZAFFOMLLSEBA-INIZCTEOSA-N 2 0 440.589 0.737 20 0 ICADRP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NCC[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001565338317 1071822921 /nfs/dbraw/zinc/82/29/21/1071822921.db2.gz WXZAFFOMLLSEBA-MRXNPFEDSA-N 2 0 440.589 0.737 20 0 ICADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC001565490524 1071844339 /nfs/dbraw/zinc/84/43/39/1071844339.db2.gz YVSNTAHHRMXTNH-JOCHJYFZSA-N 2 0 442.608 0.929 20 0 ICADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCCc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC001565490525 1071844208 /nfs/dbraw/zinc/84/42/08/1071844208.db2.gz YVSNTAHHRMXTNH-QFIPXVFZSA-N 2 0 442.608 0.929 20 0 ICADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@@]2(O)CCC[N@H+](Cc3ccccc3)C2)cn1 ZINC001565793877 1071873751 /nfs/dbraw/zinc/87/37/51/1071873751.db2.gz VCHLBAHOOZMOGB-JOCHJYFZSA-N 2 0 428.537 0.527 20 0 ICADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@]2(O)CCC[N@H+](Cc3ccccc3)C2)cn1 ZINC001565793878 1071873817 /nfs/dbraw/zinc/87/38/17/1071873817.db2.gz VCHLBAHOOZMOGB-QFIPXVFZSA-N 2 0 428.537 0.527 20 0 ICADRP COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C ZINC001568149555 1071944332 /nfs/dbraw/zinc/94/43/32/1071944332.db2.gz SAHBONHKSIZFHX-KRWDZBQOSA-N 2 0 443.589 0.080 20 0 ICADRP COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C ZINC001568149556 1071944905 /nfs/dbraw/zinc/94/49/05/1071944905.db2.gz SAHBONHKSIZFHX-QGZVFWFLSA-N 2 0 443.589 0.080 20 0 ICADRP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N(CCn2ccnc2)Cc2cnn(C)c2)CC1=O ZINC001568829824 1071957468 /nfs/dbraw/zinc/95/74/68/1071957468.db2.gz DVAHSGNQGFCISN-PMACEKPBSA-N 2 0 427.553 0.978 20 0 ICADRP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N(CCn2ccnc2)Cc2cnn(C)c2)CC1=O ZINC001568829825 1071957408 /nfs/dbraw/zinc/95/74/08/1071957408.db2.gz DVAHSGNQGFCISN-UXHICEINSA-N 2 0 427.553 0.978 20 0 ICADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(CCn2ccnc2)Cc2cnn(C)c2)CC1=O ZINC001568829826 1071957372 /nfs/dbraw/zinc/95/73/72/1071957372.db2.gz DVAHSGNQGFCISN-VQTJNVASSA-N 2 0 427.553 0.978 20 0 ICADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N(CCn2ccnc2)Cc2cnn(C)c2)CC1=O ZINC001568829827 1071957439 /nfs/dbraw/zinc/95/74/39/1071957439.db2.gz DVAHSGNQGFCISN-WOJBJXKFSA-N 2 0 427.553 0.978 20 0 ICADRP CC[NH+]1CCN(CCC(=O)N(C)CC[N@H+](C)CCN2C(=O)c3ccccc3C2=O)CC1 ZINC001569932020 1071991355 /nfs/dbraw/zinc/99/13/55/1071991355.db2.gz DQICGSNMNUBJEN-UHFFFAOYSA-N 2 0 429.565 0.700 20 0 ICADRP CCN1CCC([NH+]2CCC(C(=O)N[C@H]3CC(=O)N(CC[N@H+](C)CCOC)C3)CC2)CC1 ZINC001570028813 1071993963 /nfs/dbraw/zinc/99/39/63/1071993963.db2.gz HCTWDCORJNDYCL-FQEVSTJZSA-N 2 0 437.629 0.478 20 0 ICADRP CCN1CCC([NH+]2CCC(C(=O)N[C@@H]3CC(=O)N(CC[N@H+](C)CCOC)C3)CC2)CC1 ZINC001570028814 1071994011 /nfs/dbraw/zinc/99/40/11/1071994011.db2.gz HCTWDCORJNDYCL-HXUWFJFHSA-N 2 0 437.629 0.478 20 0 ICADRP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CC1=O ZINC001570329438 1072009630 /nfs/dbraw/zinc/00/96/30/1072009630.db2.gz WHHSAVRXMZZLMJ-PMACEKPBSA-N 2 0 435.613 0.232 20 0 ICADRP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CC1=O ZINC001570329439 1072009803 /nfs/dbraw/zinc/00/98/03/1072009803.db2.gz WHHSAVRXMZZLMJ-UXHICEINSA-N 2 0 435.613 0.232 20 0 ICADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CC1=O ZINC001570329440 1072009739 /nfs/dbraw/zinc/00/97/39/1072009739.db2.gz WHHSAVRXMZZLMJ-VQTJNVASSA-N 2 0 435.613 0.232 20 0 ICADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CC1=O ZINC001570329441 1072009589 /nfs/dbraw/zinc/00/95/89/1072009589.db2.gz WHHSAVRXMZZLMJ-WOJBJXKFSA-N 2 0 435.613 0.232 20 0 ICADRP COC[C@]1(C[NH+](C)C)COCCN1C(=O)c1nnn(-c2cccc3c2CC[N@H+](C)C3)c1C ZINC001583251307 1072046197 /nfs/dbraw/zinc/04/61/97/1072046197.db2.gz LFCMIPIIBBNVBY-HSZRJFAPSA-N 2 0 442.564 0.983 20 0 ICADRP COC[C@@]1(C[NH+](C)C)COCCN1C(=O)c1nnn(-c2cccc3c2CC[N@H+](C)C3)c1C ZINC001583251308 1072045881 /nfs/dbraw/zinc/04/58/81/1072045881.db2.gz LFCMIPIIBBNVBY-QHCPKHFHSA-N 2 0 442.564 0.983 20 0 ICADRP O=C(Cc1ccc(F)cc1)N[C@@H](CO)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001583807561 1072072510 /nfs/dbraw/zinc/07/25/10/1072072510.db2.gz DXCUQKQRNUZPKY-NRFANRHFSA-N 2 0 443.523 0.569 20 0 ICADRP Cc1c(C(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC001584932893 1072122374 /nfs/dbraw/zinc/12/23/74/1072122374.db2.gz PCIKUFSGPXRPJU-IBGZPJMESA-N 2 0 425.537 0.633 20 0 ICADRP CCN1CCC([NH+]2CCC(C(=O)Nc3ccn(CC(=O)N4CCOCC4)n3)CC2)CC1 ZINC001586109383 1072190793 /nfs/dbraw/zinc/19/07/93/1072190793.db2.gz YRXZZEKDUHTBCQ-UHFFFAOYSA-N 2 0 432.569 0.877 20 0 ICADRP Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCN1C ZINC001586538293 1072213756 /nfs/dbraw/zinc/21/37/56/1072213756.db2.gz DXXLEVKKWQEAPW-FXAWDEMLSA-N 2 0 439.626 0.589 20 0 ICADRP Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC001586538294 1072213792 /nfs/dbraw/zinc/21/37/92/1072213792.db2.gz DXXLEVKKWQEAPW-PXNSSMCTSA-N 2 0 439.626 0.589 20 0 ICADRP Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC001586538295 1072213537 /nfs/dbraw/zinc/21/35/37/1072213537.db2.gz DXXLEVKKWQEAPW-XLIONFOSSA-N 2 0 439.626 0.589 20 0 ICADRP Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCN1C ZINC001586538296 1072213651 /nfs/dbraw/zinc/21/36/51/1072213651.db2.gz DXXLEVKKWQEAPW-YLJYHZDGSA-N 2 0 439.626 0.589 20 0 ICADRP Cc1c(C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)nnn1-c1cccc2c1CC[N@H+](C)C2 ZINC001586571338 1072219128 /nfs/dbraw/zinc/21/91/28/1072219128.db2.gz FNASGOLJIQKJKW-UHFFFAOYSA-N 2 0 425.537 0.410 20 0 ICADRP C[NH+](C)CCNC(=O)C1CCN(C(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)CC1 ZINC001587046812 1072247519 /nfs/dbraw/zinc/24/75/19/1072247519.db2.gz IRIJLDCOTDOVGH-KRWDZBQOSA-N 2 0 427.590 0.748 20 0 ICADRP C[NH+](C)CCNC(=O)C1CCN(C(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)CC1 ZINC001587046816 1072247485 /nfs/dbraw/zinc/24/74/85/1072247485.db2.gz IRIJLDCOTDOVGH-QGZVFWFLSA-N 2 0 427.590 0.748 20 0 ICADRP C[NH+](C)C[C@@H]1CN(C(=O)CN2C(=O)Cn3c(cc4ccccc43)C2=O)C[C@H]1C[NH+](C)C ZINC001587263980 1072260650 /nfs/dbraw/zinc/26/06/50/1072260650.db2.gz IZOIFZWQNUEHSN-QZTJIDSGSA-N 2 0 425.533 0.822 20 0 ICADRP CN1C[C@H](C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)N(C(=O)OC(C)(C)C)CC1=O ZINC001587266714 1072260550 /nfs/dbraw/zinc/26/05/50/1072260550.db2.gz GONGSMOYXHTIFM-BRWVUGGUSA-N 2 0 425.574 0.262 20 0 ICADRP CN1C[C@@H](C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)N(C(=O)OC(C)(C)C)CC1=O ZINC001587266715 1072260623 /nfs/dbraw/zinc/26/06/23/1072260623.db2.gz GONGSMOYXHTIFM-ZACQAIPSSA-N 2 0 425.574 0.262 20 0 ICADRP C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1 ZINC001587267041 1072260679 /nfs/dbraw/zinc/26/06/79/1072260679.db2.gz MAUUUUDSVFJKBW-CGTJXYLNSA-N 2 0 426.583 0.157 20 0 ICADRP C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1 ZINC001587267042 1072260640 /nfs/dbraw/zinc/26/06/40/1072260640.db2.gz MAUUUUDSVFJKBW-KBAYOESNSA-N 2 0 426.583 0.157 20 0 ICADRP CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(C(C)C)n3C[C@@]3(O)CC[NH+](C)C3)C[C@@H]2C)CC1 ZINC001596138005 1072454483 /nfs/dbraw/zinc/45/44/83/1072454483.db2.gz ZBAJZDHLPWBBCY-JXHRLWIKSA-N 2 0 447.628 0.847 20 0 ICADRP CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(C(C)C)n3C[C@@]3(O)CC[NH+](C)C3)C[C@H]2C)CC1 ZINC001596138006 1072455153 /nfs/dbraw/zinc/45/51/53/1072455153.db2.gz ZBAJZDHLPWBBCY-KKLQWCBXSA-N 2 0 447.628 0.847 20 0 ICADRP CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(C(C)C)n3C[C@]3(O)CC[NH+](C)C3)C[C@@H]2C)CC1 ZINC001596138007 1072455065 /nfs/dbraw/zinc/45/50/65/1072455065.db2.gz ZBAJZDHLPWBBCY-NOXFTYBFSA-N 2 0 447.628 0.847 20 0 ICADRP CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(C(C)C)n3C[C@]3(O)CC[NH+](C)C3)C[C@H]2C)CC1 ZINC001596138008 1072455207 /nfs/dbraw/zinc/45/52/07/1072455207.db2.gz ZBAJZDHLPWBBCY-XQFWAAQXSA-N 2 0 447.628 0.847 20 0 ICADRP Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC001597656937 1072568379 /nfs/dbraw/zinc/56/83/79/1072568379.db2.gz GIBDPJYINFWJRI-UHFFFAOYSA-N 2 0 439.626 0.544 20 0 ICADRP O=C(N[C@@H](CO)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1cccc(F)n1 ZINC001598129261 1072605376 /nfs/dbraw/zinc/60/53/76/1072605376.db2.gz SUHSTJFJCCWJTI-SFHVURJKSA-N 2 0 430.484 0.035 20 0 ICADRP NS(=O)(=O)c1nc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)n2ccccc12 ZINC001598129505 1072605420 /nfs/dbraw/zinc/60/54/20/1072605420.db2.gz ZZSAKVSRQKQRFG-UHFFFAOYSA-N 2 0 443.533 0.319 20 0 ICADRP CC(C)Cc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1CCOCC[NH+](C)C ZINC001603656589 1072655448 /nfs/dbraw/zinc/65/54/48/1072655448.db2.gz LDRCZOAPGORKED-IBGZPJMESA-N 2 0 435.617 0.798 20 0 ICADRP CC(C)Cc1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1CCOCC[NH+](C)C ZINC001603656590 1072655485 /nfs/dbraw/zinc/65/54/85/1072655485.db2.gz LDRCZOAPGORKED-LJQANCHMSA-N 2 0 435.617 0.798 20 0 ICADRP CC(C)[N@H+](C)CCn1c(-c2cnccn2)nnc1N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001607939261 1072688514 /nfs/dbraw/zinc/68/85/14/1072688514.db2.gz OZVHBSQGVGWPLY-IBGZPJMESA-N 2 0 441.584 0.818 20 0 ICADRP CC(C)[N@H+](C)CCn1c(-c2cnccn2)nnc1N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001607939262 1072688605 /nfs/dbraw/zinc/68/86/05/1072688605.db2.gz OZVHBSQGVGWPLY-LJQANCHMSA-N 2 0 441.584 0.818 20 0 ICADRP CC(C)NC(=O)c1nnc(N2CC[NH+](C3CCOCC3)CC2)n1CCOCC[NH+](C)C ZINC001608579995 1072716693 /nfs/dbraw/zinc/71/66/93/1072716693.db2.gz UJNZHCYBAOHIJK-UHFFFAOYSA-N 2 0 437.589 0.296 20 0 ICADRP C[C@H](Cn1c(CN2CCCC2=O)nnc1N1CC[NH+](CC2CCOCC2)CC1)[NH+](C)C ZINC001611599315 1072790597 /nfs/dbraw/zinc/79/05/97/1072790597.db2.gz NKPHNQRFAIJEMY-GOSISDBHSA-N 2 0 433.601 0.899 20 0 ICADRP C[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CC[NH+](CC2CCOCC2)CC1)[NH+](C)C ZINC001611599316 1072790693 /nfs/dbraw/zinc/79/06/93/1072790693.db2.gz NKPHNQRFAIJEMY-SFHVURJKSA-N 2 0 433.601 0.899 20 0 ICADRP CC(C)[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[NH+]2CCCCC2)CC1 ZINC001611704997 1072833755 /nfs/dbraw/zinc/83/37/55/1072833755.db2.gz LKTYSYLPFMGSRG-KRWDZBQOSA-N 2 0 427.619 0.905 20 0 ICADRP CC(C)[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[NH+]2CCCCC2)CC1 ZINC001611704998 1072833835 /nfs/dbraw/zinc/83/38/35/1072833835.db2.gz LKTYSYLPFMGSRG-QGZVFWFLSA-N 2 0 427.619 0.905 20 0 ICADRP CC(C)[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2([NH+](C)C)CCC2)CC1 ZINC001611705329 1072833885 /nfs/dbraw/zinc/83/38/85/1072833885.db2.gz QRXVCPUYCUCAEJ-INIZCTEOSA-N 2 0 427.619 0.903 20 0 ICADRP CC(C)[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2([NH+](C)C)CCC2)CC1 ZINC001611705330 1072833913 /nfs/dbraw/zinc/83/39/13/1072833913.db2.gz QRXVCPUYCUCAEJ-MRXNPFEDSA-N 2 0 427.619 0.903 20 0 ICADRP CC(C)[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCC[NH+]2CCCC2)CC1 ZINC001611705357 1072834196 /nfs/dbraw/zinc/83/41/96/1072834196.db2.gz RGRCGHBDEIEXKA-KRWDZBQOSA-N 2 0 427.619 0.905 20 0 ICADRP CC(C)[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC[NH+]2CCCC2)CC1 ZINC001611705358 1072834436 /nfs/dbraw/zinc/83/44/36/1072834436.db2.gz RGRCGHBDEIEXKA-QGZVFWFLSA-N 2 0 427.619 0.905 20 0 ICADRP C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](C2CCOCC2)CC1)[NH+](C)C ZINC001611707203 1072835604 /nfs/dbraw/zinc/83/56/04/1072835604.db2.gz NCQJANDYSIBKEP-CVEARBPZSA-N 2 0 443.618 0.139 20 0 ICADRP C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](C2CCOCC2)CC1)[NH+](C)C ZINC001611707204 1072835561 /nfs/dbraw/zinc/83/55/61/1072835561.db2.gz NCQJANDYSIBKEP-HOTGVXAUSA-N 2 0 443.618 0.139 20 0 ICADRP C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](C2CCOCC2)CC1)[NH+](C)C ZINC001611707205 1072835489 /nfs/dbraw/zinc/83/54/89/1072835489.db2.gz NCQJANDYSIBKEP-HZPDHXFCSA-N 2 0 443.618 0.139 20 0 ICADRP C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCOCC3)CC2)n1C[C@H](C)[NH+](C)C ZINC001611707206 1072835328 /nfs/dbraw/zinc/83/53/28/1072835328.db2.gz NCQJANDYSIBKEP-JKSUJKDBSA-N 2 0 443.618 0.139 20 0 ICADRP Cc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1CCCC[NH+]1CCC[C@H]1CO ZINC001612594090 1072907912 /nfs/dbraw/zinc/90/79/12/1072907912.db2.gz QTZLFHVVBXWWFU-PMACEKPBSA-N 2 0 433.601 0.566 20 0 ICADRP Cc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1CCCC[NH+]1CCC[C@@H]1CO ZINC001612594091 1072907834 /nfs/dbraw/zinc/90/78/34/1072907834.db2.gz QTZLFHVVBXWWFU-UXHICEINSA-N 2 0 433.601 0.566 20 0 ICADRP Cc1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1CCCC[NH+]1CCC[C@H]1CO ZINC001612594092 1072907889 /nfs/dbraw/zinc/90/78/89/1072907889.db2.gz QTZLFHVVBXWWFU-VQTJNVASSA-N 2 0 433.601 0.566 20 0 ICADRP Cc1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1CCCC[NH+]1CCC[C@@H]1CO ZINC001612594093 1072907982 /nfs/dbraw/zinc/90/79/82/1072907982.db2.gz QTZLFHVVBXWWFU-WOJBJXKFSA-N 2 0 433.601 0.566 20 0 ICADRP CCC(CC)NC(=O)c1nnc(N2CC[NH+](C3CCC3)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001613588209 1072983564 /nfs/dbraw/zinc/98/35/64/1072983564.db2.gz BGGMKBXQRKVAFL-JOCHJYFZSA-N 2 0 433.601 0.938 20 0 ICADRP CCC(CC)NC(=O)c1nnc(N2CC[NH+](C3CCC3)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001613588210 1072983583 /nfs/dbraw/zinc/98/35/83/1072983583.db2.gz BGGMKBXQRKVAFL-QFIPXVFZSA-N 2 0 433.601 0.938 20 0 ICADRP CCc1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001614018147 1073010392 /nfs/dbraw/zinc/01/03/92/1073010392.db2.gz FYYYEYTZPHFZEP-IBGZPJMESA-N 2 0 433.601 0.553 20 0 ICADRP CCc1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001614018148 1073010336 /nfs/dbraw/zinc/01/03/36/1073010336.db2.gz FYYYEYTZPHFZEP-LJQANCHMSA-N 2 0 433.601 0.553 20 0 ICADRP CCc1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001614018479 1073011050 /nfs/dbraw/zinc/01/10/50/1073011050.db2.gz RWXNZECSMQQJFF-FQEVSTJZSA-N 2 0 447.628 0.822 20 0 ICADRP CCc1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001614018480 1073010932 /nfs/dbraw/zinc/01/09/32/1073010932.db2.gz RWXNZECSMQQJFF-HXUWFJFHSA-N 2 0 447.628 0.822 20 0 ICADRP CCc1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1CC1([NH+](C)C)CCOCC1 ZINC001614018624 1073011218 /nfs/dbraw/zinc/01/12/18/1073011218.db2.gz YHQUMONXEDJTDB-UHFFFAOYSA-N 2 0 433.601 0.696 20 0 ICADRP CC[C@@H]1CN(c2nnc(-c3cnccn3)n2C[C@@]2(O)CC[NH+](C)C2)CC[N@@H+]1CCOC ZINC001614230644 1073031659 /nfs/dbraw/zinc/03/16/59/1073031659.db2.gz PCJVYPPLMBITBH-DYESRHJHSA-N 2 0 430.557 0.349 20 0 ICADRP CC[C@H]1CN(c2nnc(-c3cnccn3)n2C[C@@]2(O)CC[NH+](C)C2)CC[N@@H+]1CCOC ZINC001614230645 1073031389 /nfs/dbraw/zinc/03/13/89/1073031389.db2.gz PCJVYPPLMBITBH-LAUBAEHRSA-N 2 0 430.557 0.349 20 0 ICADRP CC[C@@H]1CN(c2nnc(-c3cnccn3)n2C[C@]2(O)CC[NH+](C)C2)CC[N@@H+]1CCOC ZINC001614230646 1073031498 /nfs/dbraw/zinc/03/14/98/1073031498.db2.gz PCJVYPPLMBITBH-UTKZUKDTSA-N 2 0 430.557 0.349 20 0 ICADRP CC[C@H]1CN(c2nnc(-c3cnccn3)n2C[C@]2(O)CC[NH+](C)C2)CC[N@@H+]1CCOC ZINC001614230647 1073031819 /nfs/dbraw/zinc/03/18/19/1073031819.db2.gz PCJVYPPLMBITBH-UWJYYQICSA-N 2 0 430.557 0.349 20 0 ICADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(C(C)(C)C)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001615411592 1073089540 /nfs/dbraw/zinc/08/95/40/1073089540.db2.gz PXDUDUGFDALARL-JOCHJYFZSA-N 2 0 435.617 0.633 20 0 ICADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(C(C)(C)C)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001615411593 1073089414 /nfs/dbraw/zinc/08/94/14/1073089414.db2.gz PXDUDUGFDALARL-QFIPXVFZSA-N 2 0 435.617 0.633 20 0 ICADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(C3CC3)n2CCC[NH+]2CCC(O)CC2)CC1 ZINC001615416170 1073090035 /nfs/dbraw/zinc/09/00/35/1073090035.db2.gz XGEHXOFTPRIQNP-UHFFFAOYSA-N 2 0 447.628 0.993 20 0 ICADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(C3CCCC3)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001615416198 1073090267 /nfs/dbraw/zinc/09/02/67/1073090267.db2.gz YHLUEVOVGZRDKZ-HSZRJFAPSA-N 2 0 447.628 0.993 20 0 ICADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(C3CCCC3)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001615416199 1073089965 /nfs/dbraw/zinc/08/99/65/1073089965.db2.gz YHLUEVOVGZRDKZ-QHCPKHFHSA-N 2 0 447.628 0.993 20 0 ICADRP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cnn(C)c3)n2CCN2CCN(C(C)=O)CC2)C[C@H]1C ZINC001615766184 1073116995 /nfs/dbraw/zinc/11/69/95/1073116995.db2.gz ZXLQXKLMCYENJY-MSOLQXFVSA-N 2 0 443.600 0.762 20 0 ICADRP CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cnn(C)c3)n2CCN2CCN(C(C)=O)CC2)C[C@H]1C ZINC001615766185 1073116881 /nfs/dbraw/zinc/11/68/81/1073116881.db2.gz ZXLQXKLMCYENJY-QZTJIDSGSA-N 2 0 443.600 0.762 20 0 ICADRP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cnn(C)c3)n2CCN2CCN(C(C)=O)CC2)C[C@@H]1C ZINC001615766187 1073116937 /nfs/dbraw/zinc/11/69/37/1073116937.db2.gz ZXLQXKLMCYENJY-ROUUACIJSA-N 2 0 443.600 0.762 20 0 ICADRP CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cnn(C)c3)n2CCN2CCN(C(C)=O)CC2)C[C@@H]1C ZINC001615766189 1073117036 /nfs/dbraw/zinc/11/70/36/1073117036.db2.gz ZXLQXKLMCYENJY-ZWKOTPCHSA-N 2 0 443.600 0.762 20 0 ICADRP CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCC[NH+]2CCCO)C[C@H]1C ZINC001615769213 1073117711 /nfs/dbraw/zinc/11/77/11/1073117711.db2.gz RSMFNCRULCTLNM-HCXYKTFWSA-N 2 0 433.601 0.995 20 0 ICADRP CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCC[NH+]2CCCO)C[C@@H]1C ZINC001615769214 1073117589 /nfs/dbraw/zinc/11/75/89/1073117589.db2.gz RSMFNCRULCTLNM-OKYOBFRVSA-N 2 0 433.601 0.995 20 0 ICADRP CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCC[NH+]2CCCO)C[C@@H]1C ZINC001615769215 1073117794 /nfs/dbraw/zinc/11/77/94/1073117794.db2.gz RSMFNCRULCTLNM-VJANTYMQSA-N 2 0 433.601 0.995 20 0 ICADRP CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCC[NH+]2CCCO)C[C@H]1C ZINC001615769216 1073117852 /nfs/dbraw/zinc/11/78/52/1073117852.db2.gz RSMFNCRULCTLNM-XWSJACJDSA-N 2 0 433.601 0.995 20 0 ICADRP CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@]2(O)CC[NH+](C)C2)C[C@H]1C ZINC001615774314 1073117836 /nfs/dbraw/zinc/11/78/36/1073117836.db2.gz BQMXPRUAJXUTGL-NOYKIMNZSA-N 2 0 436.601 0.988 20 0 ICADRP CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@]2(O)CC[NH+](C)C2)C[C@H]1C ZINC001615774315 1073117729 /nfs/dbraw/zinc/11/77/29/1073117729.db2.gz BQMXPRUAJXUTGL-PEXPKUBFSA-N 2 0 436.601 0.988 20 0 ICADRP CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@]2(O)CC[NH+](C)C2)C[C@@H]1C ZINC001615774316 1073117648 /nfs/dbraw/zinc/11/76/48/1073117648.db2.gz BQMXPRUAJXUTGL-SHUHUVMISA-N 2 0 436.601 0.988 20 0 ICADRP CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@]2(O)CC[NH+](C)C2)C[C@@H]1C ZINC001615774317 1073117776 /nfs/dbraw/zinc/11/77/76/1073117776.db2.gz BQMXPRUAJXUTGL-ZLGIVVLRSA-N 2 0 436.601 0.988 20 0 ICADRP CC[NH+]1CCN([C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[N@H+](CC)[C@H](C)C2)CC1 ZINC001615843150 1073129933 /nfs/dbraw/zinc/12/99/33/1073129933.db2.gz SAYHRCVDRKTVES-GUDVDZBRSA-N 2 0 432.617 0.786 20 0 ICADRP CC[NH+]1CCN([C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[N@H+](CC)[C@@H](C)C2)CC1 ZINC001615843154 1073129763 /nfs/dbraw/zinc/12/97/63/1073129763.db2.gz SAYHRCVDRKTVES-IPMKNSEASA-N 2 0 432.617 0.786 20 0 ICADRP CC[NH+]1CCN([C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[N@H+](CC)[C@@H](C)C2)CC1 ZINC001615843156 1073130041 /nfs/dbraw/zinc/13/00/41/1073130041.db2.gz SAYHRCVDRKTVES-OTWHNJEPSA-N 2 0 432.617 0.786 20 0 ICADRP CC[NH+]1CCN([C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[N@H+](CC)[C@H](C)C2)CC1 ZINC001615843158 1073129948 /nfs/dbraw/zinc/12/99/48/1073129948.db2.gz SAYHRCVDRKTVES-QRVBRYPASA-N 2 0 432.617 0.786 20 0 ICADRP CC[NH+]1CCN([C@H]2CCN(c3nnc(C(=O)N4CCCC4)n3C[C@@H](C)[NH+](C)C)C2)CC1 ZINC001615873241 1073135799 /nfs/dbraw/zinc/13/57/99/1073135799.db2.gz RXVFPVYRULTIBZ-MOPGFXCFSA-N 2 0 432.617 0.680 20 0 ICADRP CC[NH+]1CCN([C@H]2CCN(c3nnc(C(=O)N4CCCC4)n3C[C@H](C)[NH+](C)C)C2)CC1 ZINC001615873243 1073136085 /nfs/dbraw/zinc/13/60/85/1073136085.db2.gz RXVFPVYRULTIBZ-OALUTQOASA-N 2 0 432.617 0.680 20 0 ICADRP CC[NH+]1CCN([C@@H]2CCN(c3nnc(C(=O)N4CCCC4)n3C[C@H](C)[NH+](C)C)C2)CC1 ZINC001615873244 1073136143 /nfs/dbraw/zinc/13/61/43/1073136143.db2.gz RXVFPVYRULTIBZ-RBUKOAKNSA-N 2 0 432.617 0.680 20 0 ICADRP CC[NH+]1CCN([C@@H]2CCN(c3nnc(C(=O)N4CCCC4)n3C[C@@H](C)[NH+](C)C)C2)CC1 ZINC001615873246 1073135726 /nfs/dbraw/zinc/13/57/26/1073135726.db2.gz RXVFPVYRULTIBZ-RTBURBONSA-N 2 0 432.617 0.680 20 0 ICADRP CC[NH+]1CCN([C@H]2CCN(c3nnc(CN4CCCC4=O)n3CC[N@H+](C)C(C)C)C2)CC1 ZINC001615877860 1073137971 /nfs/dbraw/zinc/13/79/71/1073137971.db2.gz ZVNVDIVIOUJWHP-FQEVSTJZSA-N 2 0 446.644 0.957 20 0 ICADRP CC[NH+]1CCN([C@@H]2CCN(c3nnc(CN4CCCC4=O)n3CC[N@H+](C)C(C)C)C2)CC1 ZINC001615877861 1073138233 /nfs/dbraw/zinc/13/82/33/1073138233.db2.gz ZVNVDIVIOUJWHP-HXUWFJFHSA-N 2 0 446.644 0.957 20 0 ICADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(C)n2CCCN2CC[NH+](CC)CC2)CC1 ZINC001615889859 1073141584 /nfs/dbraw/zinc/14/15/84/1073141584.db2.gz YCTXDINRRLHUNR-UHFFFAOYSA-N 2 0 434.633 0.605 20 0 ICADRP CC[NH+]1CCN(CCCn2c(CN3CCCC3=O)nnc2N2CC[NH+](C(C)C)CC2)CC1 ZINC001615894696 1073142829 /nfs/dbraw/zinc/14/28/29/1073142829.db2.gz AVKMUVMZTLJFHO-UHFFFAOYSA-N 2 0 446.644 0.959 20 0 ICADRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC001616442331 1073208445 /nfs/dbraw/zinc/20/84/45/1073208445.db2.gz TZMCUNJJPGELBE-HOJAQTOUSA-N 2 0 438.594 0.566 20 0 ICADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC001616442332 1073208387 /nfs/dbraw/zinc/20/83/87/1073208387.db2.gz TZMCUNJJPGELBE-MISYRCLQSA-N 2 0 438.594 0.566 20 0 ICADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC001616442333 1073208544 /nfs/dbraw/zinc/20/85/44/1073208544.db2.gz TZMCUNJJPGELBE-RLLQIKCJSA-N 2 0 438.594 0.566 20 0 ICADRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC001616442334 1073208524 /nfs/dbraw/zinc/20/85/24/1073208524.db2.gz TZMCUNJJPGELBE-YZGWKJHDSA-N 2 0 438.594 0.566 20 0 ICADRP CCOCc1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1CCC[NH+]1CCC(O)CC1 ZINC001616939539 1073240729 /nfs/dbraw/zinc/24/07/29/1073240729.db2.gz DLELLHBHZFVBSW-IBGZPJMESA-N 2 0 436.601 0.820 20 0 ICADRP CCOCc1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1CCC[NH+]1CCC(O)CC1 ZINC001616939540 1073240868 /nfs/dbraw/zinc/24/08/68/1073240868.db2.gz DLELLHBHZFVBSW-LJQANCHMSA-N 2 0 436.601 0.820 20 0 ICADRP C[NH+](C)CCSc1nc(CC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)cs1 ZINC001617047133 1073249380 /nfs/dbraw/zinc/24/93/80/1073249380.db2.gz JFACPOFJRLIVDT-INIZCTEOSA-N 2 0 427.640 0.862 20 0 ICADRP C[NH+](C)CCSc1nc(CC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)cs1 ZINC001617047134 1073249312 /nfs/dbraw/zinc/24/93/12/1073249312.db2.gz JFACPOFJRLIVDT-MRXNPFEDSA-N 2 0 427.640 0.862 20 0 ICADRP C[NH+](C)CCOCCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001617700032 1073328029 /nfs/dbraw/zinc/32/80/29/1073328029.db2.gz TVSCZMDLSUQSIB-UXHICEINSA-N 2 0 436.601 0.909 20 0 ICADRP C[NH+](C)CCOCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001617700033 1073328201 /nfs/dbraw/zinc/32/82/01/1073328201.db2.gz TVSCZMDLSUQSIB-WOJBJXKFSA-N 2 0 436.601 0.909 20 0 ICADRP C[NH+](C)CCNC(=O)C1CC[NH+](C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CC1 ZINC001618333895 1073378451 /nfs/dbraw/zinc/37/84/51/1073378451.db2.gz JEISXIWMIXVAFZ-KRWDZBQOSA-N 2 0 432.631 0.378 20 0 ICADRP C[NH+](C)CCNC(=O)C1CC[NH+](C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CC1 ZINC001618333896 1073378394 /nfs/dbraw/zinc/37/83/94/1073378394.db2.gz JEISXIWMIXVAFZ-QGZVFWFLSA-N 2 0 432.631 0.378 20 0 ICADRP CNC(=O)[C@@H]1CN(c2nnc(C)n2CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CCO1 ZINC001618687131 1073459547 /nfs/dbraw/zinc/45/95/47/1073459547.db2.gz XECMIDARYJOAHN-IBGZPJMESA-N 2 0 428.541 0.145 20 0 ICADRP CNC(=O)[C@H]1CN(c2nnc(C)n2CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CCO1 ZINC001618687133 1073459657 /nfs/dbraw/zinc/45/96/57/1073459657.db2.gz XECMIDARYJOAHN-LJQANCHMSA-N 2 0 428.541 0.145 20 0 ICADRP Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC001618752759 1073489044 /nfs/dbraw/zinc/48/90/44/1073489044.db2.gz LOXVKGFOEHXAKI-NRFANRHFSA-N 2 0 440.610 0.754 20 0 ICADRP Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)N1CCC[C@@](O)(C[NH+](C)C)C1 ZINC001618752763 1073489070 /nfs/dbraw/zinc/48/90/70/1073489070.db2.gz LOXVKGFOEHXAKI-OAQYLSRUSA-N 2 0 440.610 0.754 20 0 ICADRP Cn1cc(C[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)c(I)n1 ZINC001620970083 1072522482 /nfs/dbraw/zinc/52/24/82/1072522482.db2.gz BPCQSUQNTFPHIS-UHFFFAOYSA-N 2 0 433.338 0.911 20 0 ICADRP COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1 ZINC001626189723 1072659126 /nfs/dbraw/zinc/65/91/26/1072659126.db2.gz SQKPGMPCPUVRJM-UHFFFAOYSA-N 2 0 446.552 0.166 20 0 ICADRP