smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCCN(CC[NH+](C)C)C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000159966072 524777913 /nfs/dbraw/zinc/77/79/13/524777913.db2.gz CMTZVDAOHIPVNL-MJGOQNOKSA-N 2 0 362.518 1.727 20 70 FDIDRP C[NH+](C)CCN(C(=O)NC1CCN(CC[NH+](C)C)CC1)C1CCCC1 ZINC000160011909 524789470 /nfs/dbraw/zinc/78/94/70/524789470.db2.gz GOUBWTUNNXUAMT-UHFFFAOYSA-N 2 0 353.555 1.528 20 70 FDIDRP C[NH+](C)CCCC1CCN(C(=O)NC2CCN(CC[NH+](C)C)CC2)CC1 ZINC000160194651 524829749 /nfs/dbraw/zinc/82/97/49/524829749.db2.gz LEZZRQBUTLHBDV-UHFFFAOYSA-N 2 0 367.582 1.776 20 70 FDIDRP CC(=O)NC1CCC([NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000161217867 525057773 /nfs/dbraw/zinc/05/77/73/525057773.db2.gz JYRKDQOOZCJXLB-UHFFFAOYSA-N 2 0 358.530 1.841 20 70 FDIDRP C[C@@H](Cn1cc(Br)cn1)[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000160709345 524953287 /nfs/dbraw/zinc/95/32/87/524953287.db2.gz JKKSPUXAFHUFBG-DZGCQCFKSA-N 2 0 359.312 1.861 20 70 FDIDRP C[C@@H](C(=O)NC(=O)NCc1ccccc1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000161389651 525099801 /nfs/dbraw/zinc/09/98/01/525099801.db2.gz LUOHGKBMEIIYKH-INIZCTEOSA-N 2 0 367.453 1.618 20 70 FDIDRP C[NH+]1CCN(Cc2cccc(C(=O)NC[C@H](O)C[NH+]3CCCCC3)c2)CC1 ZINC000160036786 524793759 /nfs/dbraw/zinc/79/37/59/524793759.db2.gz BYMRGKFKQNZPIR-FQEVSTJZSA-N 2 0 374.529 1.011 20 70 FDIDRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N1CCC([NH+](C)CCCO)CC1 ZINC000160911741 524993889 /nfs/dbraw/zinc/99/38/89/524993889.db2.gz PAIBECULPSSCGI-IBGZPJMESA-N 2 0 368.566 1.985 20 70 FDIDRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(S(C)(=O)=O)cc1 ZINC000160758855 524965536 /nfs/dbraw/zinc/96/55/36/524965536.db2.gz AQAJRPUQFMNZSV-DOTOQJQBSA-N 2 0 354.516 1.978 20 70 FDIDRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(S(C)(=O)=O)cc1 ZINC000160758989 524966800 /nfs/dbraw/zinc/96/68/00/524966800.db2.gz AQAJRPUQFMNZSV-NVXWUHKLSA-N 2 0 354.516 1.978 20 70 FDIDRP CC[NH2+]CC1CCN(C(=O)CC[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000161001258 525014645 /nfs/dbraw/zinc/01/46/45/525014645.db2.gz IAXRXTBQINMGLC-UHFFFAOYSA-N 2 0 359.518 1.442 20 70 FDIDRP C[NH+](C)[C@H](CNC(=O)C[NH+]1CCC(Cn2ccnn2)CC1)c1ccccc1 ZINC000159492912 524682162 /nfs/dbraw/zinc/68/21/62/524682162.db2.gz SUYYHBLYBLDEHA-LJQANCHMSA-N 2 0 370.501 1.409 20 70 FDIDRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[N@H+](C)CCN1C(=O)CNC1=O ZINC000159493333 524684406 /nfs/dbraw/zinc/68/44/06/524684406.db2.gz UBDQMHWPQVOUDM-HOTGVXAUSA-N 2 0 358.486 1.627 20 70 FDIDRP CCN(CC)C(=O)C[C@H](C)[NH2+]Cc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC000159526180 524690304 /nfs/dbraw/zinc/69/03/04/524690304.db2.gz CQVQKBQADMCZMX-KRWDZBQOSA-N 2 0 361.534 1.960 20 70 FDIDRP C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000160217948 524833463 /nfs/dbraw/zinc/83/34/63/524833463.db2.gz ZAQRUJMSOFLDDL-CQSZACIVSA-N 2 0 371.522 1.906 20 70 FDIDRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)N[C@@H]1CC[NH+](C2CCCC2)C1 ZINC000160833769 524979805 /nfs/dbraw/zinc/97/98/05/524979805.db2.gz QTLOLOUTSHSEBR-QGZVFWFLSA-N 2 0 365.566 1.671 20 70 FDIDRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000160991440 525010998 /nfs/dbraw/zinc/01/09/98/525010998.db2.gz GHLSJCOECDNMPO-MOPGFXCFSA-N 2 0 368.566 1.889 20 70 FDIDRP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1CNC(=O)C1)c1ccccc1 ZINC000160177901 524825518 /nfs/dbraw/zinc/82/55/18/524825518.db2.gz XTIJTKWTCZRFAO-GUDVDZBRSA-N 2 0 372.513 1.396 20 70 FDIDRP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)c1 ZINC000160717253 524956711 /nfs/dbraw/zinc/95/67/11/524956711.db2.gz YMSPWKWODPFILM-NVXWUHKLSA-N 2 0 369.531 1.482 20 70 FDIDRP CC(=O)N1CC[C@@H](C[N@@H+](C)CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000159521126 524689084 /nfs/dbraw/zinc/68/90/84/524689084.db2.gz QUXCWKZXQRNLMZ-HKUYNNGSSA-N 2 0 360.502 1.206 20 70 FDIDRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)N2CCC[NH+](CC)CC2)[C@@H](C)C1 ZINC000159868693 524757871 /nfs/dbraw/zinc/75/78/71/524757871.db2.gz IFIPCXCHCXZRRA-ZWKOTPCHSA-N 2 0 354.539 1.861 20 70 FDIDRP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000160272671 524845683 /nfs/dbraw/zinc/84/56/83/524845683.db2.gz VZSWVRCYJFIMPW-NQIIRXRSSA-N 2 0 359.562 1.908 20 70 FDIDRP [NH3+][C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160376074 524870313 /nfs/dbraw/zinc/87/03/13/524870313.db2.gz MEYZFPVBQQMWHW-SCTDSRPQSA-N 2 0 353.470 1.154 20 70 FDIDRP CC[C@@H]1CN(C(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)CC[N@@H+]1CCOC ZINC000160829466 524978212 /nfs/dbraw/zinc/97/82/12/524978212.db2.gz ZBCGJHLCZDPUOM-IAGOWNOFSA-N 2 0 352.523 1.756 20 70 FDIDRP CC[C@H]1CN(C(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)CC[N@@H+]1CCOC ZINC000160829600 524979997 /nfs/dbraw/zinc/97/99/97/524979997.db2.gz ZBCGJHLCZDPUOM-SJORKVTESA-N 2 0 352.523 1.756 20 70 FDIDRP CC(=O)NC1CCC([NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)CC1 ZINC000161419945 525104973 /nfs/dbraw/zinc/10/49/73/525104973.db2.gz XAKBPPZEWKZWIJ-UHFFFAOYSA-N 2 0 360.502 1.515 20 70 FDIDRP CC[N@@H+]1CCCN(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000159536834 524692008 /nfs/dbraw/zinc/69/20/08/524692008.db2.gz CCUCCOHAVPQCMN-UHFFFAOYSA-N 2 0 373.545 1.541 20 70 FDIDRP CC[N@@H+]1CCCN(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000160011903 524789043 /nfs/dbraw/zinc/78/90/43/524789043.db2.gz XCMLNVQYHYYQLU-ROUUACIJSA-N 2 0 352.523 1.492 20 70 FDIDRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000160674053 524943973 /nfs/dbraw/zinc/94/39/73/524943973.db2.gz XLTPAPHPJHNLOQ-KRWDZBQOSA-N 2 0 351.539 1.138 20 70 FDIDRP C[NH+](C)[C@H](CNC(=O)C[NH2+][C@@]1(CO)CCc2ccccc21)c1ccccc1 ZINC000159403919 524661273 /nfs/dbraw/zinc/66/12/73/524661273.db2.gz BQAXZYBVPBJKPP-IFMALSPDSA-N 2 0 367.493 1.829 20 70 FDIDRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCC1CC[NH+](CCO)CC1 ZINC000159675221 524718376 /nfs/dbraw/zinc/71/83/76/524718376.db2.gz NAQKNJNFZPRULB-PXNSSMCTSA-N 2 0 374.529 1.510 20 70 FDIDRP CC[NH2+]CC1CCN(C(=O)[C@H]2CC(=O)N(C[C@H]3CCC[N@@H+]3CC)C2)CC1 ZINC000161019419 525016599 /nfs/dbraw/zinc/01/65/99/525016599.db2.gz DQKSOMBUEFJLNS-ZWKOTPCHSA-N 2 0 364.534 1.167 20 70 FDIDRP C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000160286215 524850380 /nfs/dbraw/zinc/85/03/80/524850380.db2.gz XOHVCKCQTKIPFO-OAHLLOKOSA-N 2 0 353.532 1.767 20 70 FDIDRP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCC[C@H](Cn2ccnn2)C1)c1ccccc1 ZINC000159465244 524676235 /nfs/dbraw/zinc/67/62/35/524676235.db2.gz NHZFKOWWXSAVQR-PKOBYXMFSA-N 2 0 370.501 1.409 20 70 FDIDRP CC(C)[C@H](CNC(=O)N(CC[NH+](C)C)C1CCCC1)[NH+]1CCN(C)CC1 ZINC000159905160 524764699 /nfs/dbraw/zinc/76/46/99/524764699.db2.gz CPRCAYQPJFVAKA-IBGZPJMESA-N 2 0 367.582 1.774 20 70 FDIDRP C[NH+](C)[C@@H](CNC(=O)C[NH2+][C@@]1(CO)CCc2ccccc21)c1ccccc1 ZINC000159403787 524662700 /nfs/dbraw/zinc/66/27/00/524662700.db2.gz BQAXZYBVPBJKPP-RBBKRZOGSA-N 2 0 367.493 1.829 20 70 FDIDRP CCC[C@H]1CN(C(=O)NC2CC[NH+](C3CC3)CC2)CC[N@@H+]1CCOC ZINC000160093008 524808267 /nfs/dbraw/zinc/80/82/67/524808267.db2.gz LRKJRENTKJWJQN-SFHVURJKSA-N 2 0 352.523 1.756 20 70 FDIDRP C[C@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000160272799 524844961 /nfs/dbraw/zinc/84/49/61/524844961.db2.gz VZSWVRCYJFIMPW-RXVVDRJESA-N 2 0 359.562 1.908 20 70 FDIDRP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000160384842 524876521 /nfs/dbraw/zinc/87/65/21/524876521.db2.gz CUGWBEOHKMQERM-FUHWJXTLSA-N 2 0 352.523 1.469 20 70 FDIDRP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)cc1 ZINC000160284469 524850072 /nfs/dbraw/zinc/85/00/72/524850072.db2.gz RLYGKPRMPUWWBQ-HNNXBMFYSA-N 2 0 368.547 1.271 20 70 FDIDRP O=C(NCC1CC[NH+](CCO)CC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000160585848 524922665 /nfs/dbraw/zinc/92/26/65/524922665.db2.gz OMHVZTVQFKDOJF-HXUWFJFHSA-N 2 0 359.514 1.719 20 70 FDIDRP C[C@H]([NH2+]CC(C)(C)O)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000160657180 524940067 /nfs/dbraw/zinc/94/00/67/524940067.db2.gz ODCTVPWHDFYGJW-AWEZNQCLSA-N 2 0 357.520 1.338 20 70 FDIDRP CC(C)N(CC[NH+](C)C)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000159755737 524732358 /nfs/dbraw/zinc/73/23/58/524732358.db2.gz IPLOWAMLPHCRMH-ZWKOTPCHSA-N 2 0 354.539 1.736 20 70 FDIDRP O=C(NCC1CC[NH+](CCO)CC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000160585716 524922693 /nfs/dbraw/zinc/92/26/93/524922693.db2.gz OMHVZTVQFKDOJF-FQEVSTJZSA-N 2 0 359.514 1.719 20 70 FDIDRP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)c1 ZINC000160717127 524955734 /nfs/dbraw/zinc/95/57/34/524955734.db2.gz YMSPWKWODPFILM-DOTOQJQBSA-N 2 0 369.531 1.482 20 70 FDIDRP CC(=O)N1CC[C@H](C[N@@H+](C)CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000159520977 524689193 /nfs/dbraw/zinc/68/91/93/524689193.db2.gz QUXCWKZXQRNLMZ-MJGOQNOKSA-N 2 0 360.502 1.206 20 70 FDIDRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CCC[NH+](CC)CC2)[C@@H](C)C1 ZINC000159868830 524758048 /nfs/dbraw/zinc/75/80/48/524758048.db2.gz IFIPCXCHCXZRRA-ROUUACIJSA-N 2 0 354.539 1.861 20 70 FDIDRP CC[C@@H](C(=O)Nc1ccc(CC[NH+]2CCC(C(N)=O)CC2)cc1)[NH+](C)C ZINC000159986858 524783401 /nfs/dbraw/zinc/78/34/01/524783401.db2.gz JVVLISHUHJFQKO-SFHVURJKSA-N 2 0 360.502 1.705 20 70 FDIDRP C[C@@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159544791 524693791 /nfs/dbraw/zinc/69/37/91/524693791.db2.gz FLPHVZZBJZRZOB-LEAZDLGRSA-N 2 0 359.514 1.858 20 70 FDIDRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)N[C@H]1CC[NH+](C2CCCC2)C1 ZINC000160833894 524980114 /nfs/dbraw/zinc/98/01/14/524980114.db2.gz QTLOLOUTSHSEBR-KRWDZBQOSA-N 2 0 365.566 1.671 20 70 FDIDRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000161004956 525015403 /nfs/dbraw/zinc/01/54/03/525015403.db2.gz VWMQLHBGHKSPLU-ROUUACIJSA-N 2 0 354.539 1.643 20 70 FDIDRP C[N@H+](CCCN1CC[NH+](C)CC1)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000161195296 525051562 /nfs/dbraw/zinc/05/15/62/525051562.db2.gz YTECYFLOTQYGOC-UHFFFAOYSA-N 2 0 352.567 1.840 20 70 FDIDRP Cc1cccc(N2CC[NH+](CCC(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)CC2)c1 ZINC000159629760 524711529 /nfs/dbraw/zinc/71/15/29/524711529.db2.gz ZGISGHYBCRPPGQ-KDURUIRLSA-N 2 0 356.514 1.860 20 70 FDIDRP C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000160235309 524837320 /nfs/dbraw/zinc/83/73/20/524837320.db2.gz BAOQBTGBFUDGSV-SIKLNZKXSA-N 2 0 374.573 1.892 20 70 FDIDRP CC(C)N(CC[NH+](C)C)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000159755376 524733652 /nfs/dbraw/zinc/73/36/52/524733652.db2.gz IPLOWAMLPHCRMH-MSOLQXFVSA-N 2 0 354.539 1.736 20 70 FDIDRP C[NH+]1CCN(Cc2cccc(C(=O)NC[C@@H](O)C[NH+]3CCCCC3)c2)CC1 ZINC000160036938 524794594 /nfs/dbraw/zinc/79/45/94/524794594.db2.gz BYMRGKFKQNZPIR-HXUWFJFHSA-N 2 0 374.529 1.011 20 70 FDIDRP CCC[C@@H]1CN(C(=O)NC[C@@H]2CC[NH+](CCC)C2)CC[N@@H+]1CCOC ZINC000160063829 524800417 /nfs/dbraw/zinc/80/04/17/524800417.db2.gz MFILNXRCZDICBM-ZWKOTPCHSA-N 2 0 354.539 1.861 20 70 FDIDRP COCCN(CC[NH+](C)C)C(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000160401876 524878928 /nfs/dbraw/zinc/87/89/28/524878928.db2.gz ZQQXNDHGDJARJO-IEBWSBKVSA-N 2 0 362.518 1.869 20 70 FDIDRP C[NH+]1CCN(Cc2ccc(C(=O)NC[C@H](O)C[NH+]3CCCCC3)cc2)CC1 ZINC000160677027 524945025 /nfs/dbraw/zinc/94/50/25/524945025.db2.gz YPEMKMNWNUWSEA-FQEVSTJZSA-N 2 0 374.529 1.011 20 70 FDIDRP CN(C)C(=O)CC1CCN(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000160728585 524957912 /nfs/dbraw/zinc/95/79/12/524957912.db2.gz XJRDGERSYIGZAV-IBGZPJMESA-N 2 0 374.529 1.596 20 70 FDIDRP C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000160235049 524836904 /nfs/dbraw/zinc/83/69/04/524836904.db2.gz BAOQBTGBFUDGSV-UGKGYDQZSA-N 2 0 374.573 1.892 20 70 FDIDRP C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000160235446 524837546 /nfs/dbraw/zinc/83/75/46/524837546.db2.gz BAOQBTGBFUDGSV-DENIHFKCSA-N 2 0 374.573 1.892 20 70 FDIDRP COCCN(CC[NH+](C)C)C(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000160401601 524878563 /nfs/dbraw/zinc/87/85/63/524878563.db2.gz ZQQXNDHGDJARJO-MJGOQNOKSA-N 2 0 362.518 1.869 20 70 FDIDRP CCC[C@H]1CN(C(=O)NC[C@@H](C)C[NH+]2CCCC2)CC[N@@H+]1CCOC ZINC000160629410 524933364 /nfs/dbraw/zinc/93/33/64/524933364.db2.gz NLWKPIHULUBQSR-MSOLQXFVSA-N 2 0 354.539 1.861 20 70 FDIDRP CC[NH+]1CCN(Cc2ccc(C[NH2+]C3CCN(C(N)=O)CC3)cc2)CC1 ZINC000160309493 524856001 /nfs/dbraw/zinc/85/60/01/524856001.db2.gz MXQROARGYDJRDX-UHFFFAOYSA-N 2 0 359.518 1.457 20 70 FDIDRP COCCN(CC[NH+](C)C)C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000159966207 524777368 /nfs/dbraw/zinc/77/73/68/524777368.db2.gz CMTZVDAOHIPVNL-HKUYNNGSSA-N 2 0 362.518 1.727 20 70 FDIDRP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)cc1 ZINC000160284602 524850739 /nfs/dbraw/zinc/85/07/39/524850739.db2.gz RLYGKPRMPUWWBQ-OAHLLOKOSA-N 2 0 368.547 1.271 20 70 FDIDRP COCC[NH+]1CCC(NC(=O)N2CCC(CCC[NH+](C)C)CC2)CC1 ZINC000160994148 525012038 /nfs/dbraw/zinc/01/20/38/525012038.db2.gz AXXZAUHSIUVVHJ-UHFFFAOYSA-N 2 0 354.539 1.861 20 70 FDIDRP C[C@@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159544564 524693392 /nfs/dbraw/zinc/69/33/92/524693392.db2.gz FLPHVZZBJZRZOB-FFGOWVMKSA-N 2 0 359.514 1.858 20 70 FDIDRP CC[NH2+]CC1CCN(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)CC1 ZINC000161086014 525031296 /nfs/dbraw/zinc/03/12/96/525031296.db2.gz FFWSOCWIEKUGAE-UHFFFAOYSA-N 2 0 358.530 1.896 20 70 FDIDRP CC[N@@H+]1CCCN(C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)CC1 ZINC000159950121 173693626 /nfs/dbraw/zinc/69/36/26/173693626.db2.gz OZLCPLHULPQEAJ-UHFFFAOYSA-N 2 0 374.529 1.881 20 70 FDIDRP C[NH+](C)[C@@H](CNC(=O)C[NH2+][C@]1(CO)CCc2ccccc21)c1ccccc1 ZINC000159403516 524662434 /nfs/dbraw/zinc/66/24/34/524662434.db2.gz BQAXZYBVPBJKPP-UNMCSNQZSA-N 2 0 367.493 1.829 20 70 FDIDRP CC(C)N(CC[NH+](C)C)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000159755641 524732248 /nfs/dbraw/zinc/73/22/48/524732248.db2.gz IPLOWAMLPHCRMH-QZTJIDSGSA-N 2 0 354.539 1.736 20 70 FDIDRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCCC[NH+]1CCC[C@@H]1CO ZINC000160736673 524960050 /nfs/dbraw/zinc/96/00/50/524960050.db2.gz LKMNDXYHCOUHSK-ZRNYENFQSA-N 3 0 353.551 1.702 20 70 FDIDRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@]3(O)CCCC[C@@H]3C2)C1 ZINC000160801146 524973468 /nfs/dbraw/zinc/97/34/68/524973468.db2.gz BMULZTSMWDHHOY-QWFCFKBJSA-N 2 0 367.534 1.086 20 70 FDIDRP C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000160235179 524837761 /nfs/dbraw/zinc/83/77/61/524837761.db2.gz BAOQBTGBFUDGSV-KNQAVFIVSA-N 2 0 374.573 1.892 20 70 FDIDRP Cn1cc(CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c(C(F)(F)F)n1 ZINC000160818917 524976948 /nfs/dbraw/zinc/97/69/48/524976948.db2.gz MYANWHIRWMFAFV-UHFFFAOYSA-N 2 0 364.416 1.074 20 70 FDIDRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000161004814 525015055 /nfs/dbraw/zinc/01/50/55/525015055.db2.gz VWMQLHBGHKSPLU-MSOLQXFVSA-N 2 0 354.539 1.643 20 70 FDIDRP CN1CC[NH+](CCCCNC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)CC1 ZINC000160433250 524886623 /nfs/dbraw/zinc/88/66/23/524886623.db2.gz AOHSQWLYTOKZDS-IBGZPJMESA-N 2 0 365.566 1.674 20 70 FDIDRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000160961909 525004017 /nfs/dbraw/zinc/00/40/17/525004017.db2.gz PEESOIYRTHVXPK-KRWDZBQOSA-N 2 0 354.539 1.595 20 70 FDIDRP CC[N@@H+]1CCCN(C(=O)NCc2cccnc2N2CC[NH+](C)CC2)CC1 ZINC000159772941 524736587 /nfs/dbraw/zinc/73/65/87/524736587.db2.gz WCQZCKWAHAJDMR-UHFFFAOYSA-N 2 0 360.506 1.071 20 70 FDIDRP C[C@@H]1C[N@@H+](C2CCN(C(=O)N[C@@H]3CC[NH+](C4CCCC4)C3)CC2)CCO1 ZINC000160786238 524970829 /nfs/dbraw/zinc/97/08/29/524970829.db2.gz LRMCEAGUIYZADC-IAGOWNOFSA-N 2 0 364.534 1.898 20 70 FDIDRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCN2CCC([NH+](C)C)CC2)[C@H](C)C1 ZINC000160199104 524829054 /nfs/dbraw/zinc/82/90/54/524829054.db2.gz WGFWZCQCKHNMPH-UYAOXDASSA-N 3 0 354.583 1.739 20 70 FDIDRP CC1CC[NH+](C[C@H](O)CNC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000160842963 524982590 /nfs/dbraw/zinc/98/25/90/524982590.db2.gz NAVFHXUQXOOZQV-SJLPKXTDSA-N 2 0 352.523 1.395 20 70 FDIDRP CC[NH2+]CC1CCN(C(=O)[C@@H]2CC(=O)N(C[C@@H]3CCC[N@@H+]3CC)C2)CC1 ZINC000161019062 258263320 /nfs/dbraw/zinc/26/33/20/258263320.db2.gz DQKSOMBUEFJLNS-MSOLQXFVSA-N 2 0 364.534 1.167 20 70 FDIDRP C[NH+](C)[C@@H](CNC(=O)C[NH+]1CCC(Cn2ccnn2)CC1)c1ccccc1 ZINC000159492793 524682644 /nfs/dbraw/zinc/68/26/44/524682644.db2.gz SUYYHBLYBLDEHA-IBGZPJMESA-N 2 0 370.501 1.409 20 70 FDIDRP C[N@H+](CC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@@H]1CCSC1 ZINC000159489221 524682971 /nfs/dbraw/zinc/68/29/71/524682971.db2.gz VCNPNRMEAQDTCQ-ZACQAIPSSA-N 2 0 355.548 1.308 20 70 FDIDRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCN2CCC([NH+](C)C)CC2)[C@H](C)C1 ZINC000160199016 524829656 /nfs/dbraw/zinc/82/96/56/524829656.db2.gz WGFWZCQCKHNMPH-QUCCMNQESA-N 3 0 354.583 1.739 20 70 FDIDRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC([NH+](C)CCCO)CC1 ZINC000160911633 524995365 /nfs/dbraw/zinc/99/53/65/524995365.db2.gz PAIBECULPSSCGI-LJQANCHMSA-N 2 0 368.566 1.985 20 70 FDIDRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)CC1 ZINC000160675831 524944952 /nfs/dbraw/zinc/94/49/52/524944952.db2.gz ZRBWUGBPBUFYHZ-MOPGFXCFSA-N 2 0 363.550 1.282 20 70 FDIDRP CCC[C@H]1CN(C(=O)NC[C@@H](C)Cn2ccnc2C)CC[N@@H+]1CCOC ZINC000161406807 525101139 /nfs/dbraw/zinc/10/11/39/525101139.db2.gz KJNMOONEQAVHCQ-AEFFLSMTSA-N 2 0 365.522 1.970 20 70 FDIDRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCC1CC[NH+](CCO)CC1 ZINC000159675112 524719789 /nfs/dbraw/zinc/71/97/89/524719789.db2.gz NAQKNJNFZPRULB-XLIONFOSSA-N 2 0 374.529 1.510 20 70 FDIDRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000160251720 524840625 /nfs/dbraw/zinc/84/06/25/524840625.db2.gz DQJJDBHYXJZTRJ-HOJAQTOUSA-N 3 0 352.567 1.491 20 70 FDIDRP O=C(CC[NH+]1CCN(c2ccccc2)CC1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160262685 524843505 /nfs/dbraw/zinc/84/35/05/524843505.db2.gz UUXOGCNOXQLFNB-FQEVSTJZSA-N 2 0 374.529 1.162 20 70 FDIDRP C[NH+](C)Cc1c2ccccc2oc1C(=O)NCC1CC[NH+](CCO)CC1 ZINC000160680704 524946362 /nfs/dbraw/zinc/94/63/62/524946362.db2.gz OXLHCQIHXJHDNA-UHFFFAOYSA-N 2 0 359.470 1.929 20 70 FDIDRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000160908162 173725246 /nfs/dbraw/zinc/72/52/46/173725246.db2.gz CEXCQSGJWKYPSH-KSZLIROESA-N 2 0 366.550 1.859 20 70 FDIDRP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000159553757 524694805 /nfs/dbraw/zinc/69/48/05/524694805.db2.gz HUPVTAFVVQEJEC-ROUUACIJSA-N 2 0 352.523 1.757 20 70 FDIDRP C[C@@H]([NH2+]CC(C)(C)O)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000160657309 524939709 /nfs/dbraw/zinc/93/97/09/524939709.db2.gz ODCTVPWHDFYGJW-CQSZACIVSA-N 2 0 357.520 1.338 20 70 FDIDRP CC[N@@H+]1CCCN(C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)CC1 ZINC000159785085 524737947 /nfs/dbraw/zinc/73/79/47/524737947.db2.gz TWRFRNDZNBEJRP-UHFFFAOYSA-N 2 0 351.539 1.282 20 70 FDIDRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000159966776 524778360 /nfs/dbraw/zinc/77/83/60/524778360.db2.gz MGVLVTQIJNEOIT-HKUYNNGSSA-N 2 0 374.529 1.605 20 70 FDIDRP CC[N@@H+]1CCCN(C(=O)NCc2ccc(CN3CC[NH+](C)CC3)cc2)CC1 ZINC000159599411 524705429 /nfs/dbraw/zinc/70/54/29/524705429.db2.gz YEBLDGBYNZIBPQ-UHFFFAOYSA-N 2 0 373.545 1.671 20 70 FDIDRP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159544682 524692263 /nfs/dbraw/zinc/69/22/63/524692263.db2.gz FLPHVZZBJZRZOB-MDNKFWRPSA-N 2 0 359.514 1.858 20 70 FDIDRP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)c1 ZINC000160231027 524837111 /nfs/dbraw/zinc/83/71/11/524837111.db2.gz JFEPXTFDEIVFFE-OAHLLOKOSA-N 2 0 368.547 1.271 20 70 FDIDRP C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1CCN(Cc3ccccn3)CC1)C2 ZINC000160432522 524887204 /nfs/dbraw/zinc/88/72/04/524887204.db2.gz OUAUKNPJOFLTII-YQQQUEKLSA-N 2 0 357.502 1.924 20 70 FDIDRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000160991032 525010936 /nfs/dbraw/zinc/01/09/36/525010936.db2.gz GHLSJCOECDNMPO-RBUKOAKNSA-N 2 0 368.566 1.889 20 70 FDIDRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000160998825 525011936 /nfs/dbraw/zinc/01/19/36/525011936.db2.gz DQQHFESTELREIE-IBGZPJMESA-N 3 0 367.582 1.822 20 70 FDIDRP CC1(C)CC([NH2+]C2CCN(CCN3CCOCC3)CC2)CC(C)(C)[NH2+]1 ZINC000159626185 524710563 /nfs/dbraw/zinc/71/05/63/524710563.db2.gz MGBQQADOUBWNMU-UHFFFAOYSA-N 2 0 352.567 1.682 20 70 FDIDRP CCC[C@H]1CN(C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)CC[N@@H+]1CCOC ZINC000160441477 524888978 /nfs/dbraw/zinc/88/89/78/524888978.db2.gz XQUISLUPHJGDAD-WMZOPIPTSA-N 2 0 352.523 1.613 20 70 FDIDRP C[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C[C@H]1CCC[C@@H]1O ZINC000159813487 524742770 /nfs/dbraw/zinc/74/27/70/524742770.db2.gz LBACGJRNNGGCMM-UXHICEINSA-N 2 0 359.514 1.991 20 70 FDIDRP C[NH+](C)CCCC1CCN(C(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000160356072 524867277 /nfs/dbraw/zinc/86/72/77/524867277.db2.gz BOUFVKHPMWLXSL-UHFFFAOYSA-N 2 0 354.539 1.862 20 70 FDIDRP Cc1ccccc1OC[C@H](O)CN1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000159415446 524663516 /nfs/dbraw/zinc/66/35/16/524663516.db2.gz GETBYXLYRLGLBD-QZTJIDSGSA-N 2 0 361.486 1.149 20 70 FDIDRP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCC[C@H](Cn2ccnn2)C1)c1ccccc1 ZINC000159465114 524677645 /nfs/dbraw/zinc/67/76/45/524677645.db2.gz NHZFKOWWXSAVQR-HKUYNNGSSA-N 2 0 370.501 1.409 20 70 FDIDRP C[C@H](Cn1cc(Br)cn1)[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000160217672 524833364 /nfs/dbraw/zinc/83/33/64/524833364.db2.gz AOWFGOCNSIITDV-CYBMUJFWSA-N 2 0 358.328 1.650 20 70 FDIDRP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)c1 ZINC000160230932 524837356 /nfs/dbraw/zinc/83/73/56/524837356.db2.gz JFEPXTFDEIVFFE-HNNXBMFYSA-N 2 0 368.547 1.271 20 70 FDIDRP CCC[C@@H]1CN(C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)CC[N@@H+]1CCOC ZINC000160441360 524889389 /nfs/dbraw/zinc/88/93/89/524889389.db2.gz XQUISLUPHJGDAD-FUHWJXTLSA-N 2 0 352.523 1.613 20 70 FDIDRP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)cc1 ZINC000160757352 524965007 /nfs/dbraw/zinc/96/50/07/524965007.db2.gz GFCYBEXLMMDEIT-NVXWUHKLSA-N 2 0 369.531 1.482 20 70 FDIDRP CC[NH2+]CC1CCN(C(=O)[C@H]2CC(=O)N(C[C@@H]3CCC[N@@H+]3CC)C2)CC1 ZINC000161019194 525017661 /nfs/dbraw/zinc/01/76/61/525017661.db2.gz DQKSOMBUEFJLNS-ROUUACIJSA-N 2 0 364.534 1.167 20 70 FDIDRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000159966640 524777939 /nfs/dbraw/zinc/77/79/39/524777939.db2.gz MGVLVTQIJNEOIT-MJGOQNOKSA-N 2 0 374.529 1.605 20 70 FDIDRP CCC[C@H]1CN(C(=O)NC2CC[NH+](CCOC)CC2)CC[N@@H+]1CCOC ZINC000160993612 525013414 /nfs/dbraw/zinc/01/34/14/525013414.db2.gz KSORZYBUYKYHLU-SFHVURJKSA-N 2 0 370.538 1.240 20 70 FDIDRP C[C@H](C(=O)NC(=O)NCc1ccccc1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000161389784 525098996 /nfs/dbraw/zinc/09/89/96/525098996.db2.gz LUOHGKBMEIIYKH-MRXNPFEDSA-N 2 0 367.453 1.618 20 70 FDIDRP CC1CC[NH+](C[C@H](O)CNC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000160843195 524981988 /nfs/dbraw/zinc/98/19/88/524981988.db2.gz NAVFHXUQXOOZQV-FUHWJXTLSA-N 2 0 352.523 1.395 20 70 FDIDRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000160991150 525010373 /nfs/dbraw/zinc/01/03/73/525010373.db2.gz GHLSJCOECDNMPO-OALUTQOASA-N 2 0 368.566 1.889 20 70 FDIDRP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)cc1 ZINC000160757238 524964886 /nfs/dbraw/zinc/96/48/86/524964886.db2.gz GFCYBEXLMMDEIT-DOTOQJQBSA-N 2 0 369.531 1.482 20 70 FDIDRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000160961818 525004656 /nfs/dbraw/zinc/00/46/56/525004656.db2.gz PEESOIYRTHVXPK-QGZVFWFLSA-N 2 0 354.539 1.595 20 70 FDIDRP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159544926 524692719 /nfs/dbraw/zinc/69/27/19/524692719.db2.gz FLPHVZZBJZRZOB-GTAWCEEGSA-N 2 0 359.514 1.858 20 70 FDIDRP C[C@@H](Cn1cc(Br)cn1)[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000160217500 524832348 /nfs/dbraw/zinc/83/23/48/524832348.db2.gz AOWFGOCNSIITDV-ZDUSSCGKSA-N 2 0 358.328 1.650 20 70 FDIDRP CN(C)C(=O)CN1CCC([NH2+]C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000160363355 524869632 /nfs/dbraw/zinc/86/96/32/524869632.db2.gz KZAMOVDBPABKPD-UHFFFAOYSA-N 2 0 350.551 1.926 20 70 FDIDRP CC1CC[NH+](C[C@@H](O)CNC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000160843319 524980739 /nfs/dbraw/zinc/98/07/39/524980739.db2.gz NAVFHXUQXOOZQV-WMZOPIPTSA-N 2 0 352.523 1.395 20 70 FDIDRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000160991291 525009979 /nfs/dbraw/zinc/00/99/79/525009979.db2.gz GHLSJCOECDNMPO-RTBURBONSA-N 2 0 368.566 1.889 20 70 FDIDRP Cn1ncc2c1CCC[C@H]2[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000161285467 525072865 /nfs/dbraw/zinc/07/28/65/525072865.db2.gz JVVFMNZXQHOHQO-GOSISDBHSA-N 2 0 355.486 1.879 20 70 FDIDRP c1nc(N2CCOCC2)cc(N2CCN(CCC[NH+]3CCCCC3)CC2)n1 ZINC000161371719 525094204 /nfs/dbraw/zinc/09/42/04/525094204.db2.gz IJCDSTBWUGDGAX-UHFFFAOYSA-N 2 0 374.533 1.311 20 70 FDIDRP C[NH+](C)[C@H](CNC(=O)C[NH2+][C@]1(CO)CCc2ccccc21)c1ccccc1 ZINC000159403654 524661933 /nfs/dbraw/zinc/66/19/33/524661933.db2.gz BQAXZYBVPBJKPP-IRLDBZIGSA-N 2 0 367.493 1.829 20 70 FDIDRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)CC1 ZINC000160675696 524944725 /nfs/dbraw/zinc/94/47/25/524944725.db2.gz ZRBWUGBPBUFYHZ-RTBURBONSA-N 2 0 363.550 1.282 20 70 FDIDRP C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000160217802 524832230 /nfs/dbraw/zinc/83/22/30/524832230.db2.gz ZAQRUJMSOFLDDL-AWEZNQCLSA-N 2 0 371.522 1.906 20 70 FDIDRP C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccc(NS(C)(=O)=O)cc1 ZINC000160214086 524832760 /nfs/dbraw/zinc/83/27/60/524832760.db2.gz SBBYMSDYDOGEKT-OAHLLOKOSA-N 2 0 368.547 1.735 20 70 FDIDRP O=C(CCC[NH+]1CCN(c2ccccc2)CC1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159376173 524656808 /nfs/dbraw/zinc/65/68/08/524656808.db2.gz DTOPCEPSCFEYGJ-KDURUIRLSA-N 2 0 356.514 1.942 20 70 FDIDRP CC[N@@H+]1CCCN(C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000159604055 524706446 /nfs/dbraw/zinc/70/64/46/524706446.db2.gz XDTNVESOCAUDAW-UHFFFAOYSA-N 2 0 360.506 1.071 20 70 FDIDRP CC[C@H](C(=O)Nc1ccc(CC[NH+]2CCC(C(N)=O)CC2)cc1)[NH+](C)C ZINC000159986986 524783114 /nfs/dbraw/zinc/78/31/14/524783114.db2.gz JVVLISHUHJFQKO-GOSISDBHSA-N 2 0 360.502 1.705 20 70 FDIDRP CC[NH2+]CC1CCN(C(=O)[C@@H]2CC(=O)N(C[C@H]3CCC[N@@H+]3CC)C2)CC1 ZINC000161019320 525017137 /nfs/dbraw/zinc/01/71/37/525017137.db2.gz DQKSOMBUEFJLNS-QZTJIDSGSA-N 2 0 364.534 1.167 20 70 FDIDRP CCOC(=O)C1CCN(C(=O)[C@H](C)N2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000161330314 525082003 /nfs/dbraw/zinc/08/20/03/525082003.db2.gz YINKLEPLKRFUAE-INIZCTEOSA-N 2 0 374.485 1.394 20 70 FDIDRP CCC[C@@H]1CN(C(=O)NC[C@@H](C)Cn2ccnc2C)CC[N@@H+]1CCOC ZINC000161406704 525100762 /nfs/dbraw/zinc/10/07/62/525100762.db2.gz KJNMOONEQAVHCQ-SJLPKXTDSA-N 2 0 365.522 1.970 20 70 FDIDRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[N@H+](C)CCN1C(=O)CNC1=O ZINC000159493469 524685744 /nfs/dbraw/zinc/68/57/44/524685744.db2.gz UBDQMHWPQVOUDM-HZPDHXFCSA-N 2 0 358.486 1.627 20 70 FDIDRP COCCN(CC[NH+](C)C)C(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000160402005 524877737 /nfs/dbraw/zinc/87/77/37/524877737.db2.gz ZQQXNDHGDJARJO-PKOBYXMFSA-N 2 0 362.518 1.869 20 70 FDIDRP CC(C)[C@@H](CNC(=O)N(CC[NH+](C)C)C1CCCC1)[NH+]1CCN(C)CC1 ZINC000159905026 524764217 /nfs/dbraw/zinc/76/42/17/524764217.db2.gz CPRCAYQPJFVAKA-LJQANCHMSA-N 2 0 367.582 1.774 20 70 FDIDRP C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000160286073 524848981 /nfs/dbraw/zinc/84/89/81/524848981.db2.gz XOHVCKCQTKIPFO-HNNXBMFYSA-N 2 0 353.532 1.767 20 70 FDIDRP COCCN(CC[NH+](C)C)C(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000160401751 524878193 /nfs/dbraw/zinc/87/81/93/524878193.db2.gz ZQQXNDHGDJARJO-HKUYNNGSSA-N 2 0 362.518 1.869 20 70 FDIDRP CCN(CC)C(=O)C[C@@H](C)[NH2+]Cc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC000159526314 524690489 /nfs/dbraw/zinc/69/04/89/524690489.db2.gz CQVQKBQADMCZMX-QGZVFWFLSA-N 2 0 361.534 1.960 20 70 FDIDRP CC[N@@H+]1CCCN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000160011764 524790152 /nfs/dbraw/zinc/79/01/52/524790152.db2.gz XCMLNVQYHYYQLU-MSOLQXFVSA-N 2 0 352.523 1.492 20 70 FDIDRP C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccc(NS(C)(=O)=O)cc1 ZINC000160213957 524832896 /nfs/dbraw/zinc/83/28/96/524832896.db2.gz SBBYMSDYDOGEKT-HNNXBMFYSA-N 2 0 368.547 1.735 20 70 FDIDRP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000160384704 524873959 /nfs/dbraw/zinc/87/39/59/524873959.db2.gz CUGWBEOHKMQERM-WMZOPIPTSA-N 2 0 352.523 1.469 20 70 FDIDRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(NS(C)(=O)=O)cc1 ZINC000160706073 524953723 /nfs/dbraw/zinc/95/37/23/524953723.db2.gz SNCXBZKKNSHTAX-MAUKXSAKSA-N 2 0 369.531 1.946 20 70 FDIDRP Cn1ncc2c1CCC[C@@H]2[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000161285605 525072493 /nfs/dbraw/zinc/07/24/93/525072493.db2.gz JVVFMNZXQHOHQO-SFHVURJKSA-N 2 0 355.486 1.879 20 70 FDIDRP Cc1ccccc1OC[C@@H](O)CN1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000159415591 524663630 /nfs/dbraw/zinc/66/36/30/524663630.db2.gz GETBYXLYRLGLBD-ZWKOTPCHSA-N 2 0 361.486 1.149 20 70 FDIDRP CC[N@@H+]1CCCN(C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)CC1 ZINC000159824364 524747270 /nfs/dbraw/zinc/74/72/70/524747270.db2.gz FNFOYQOMNZDDMJ-UHFFFAOYSA-N 2 0 374.529 1.881 20 70 FDIDRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000160908435 524994487 /nfs/dbraw/zinc/99/44/87/524994487.db2.gz CEXCQSGJWKYPSH-KURKYZTESA-N 2 0 366.550 1.859 20 70 FDIDRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]C2CCN(CC(F)F)CC2)c1 ZINC000161245732 525064459 /nfs/dbraw/zinc/06/44/59/525064459.db2.gz HXIOQNJCTNNMEU-UHFFFAOYSA-N 2 0 368.472 1.797 20 70 FDIDRP O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000160024327 524792199 /nfs/dbraw/zinc/79/21/99/524792199.db2.gz PDDWAFBJVDVLOQ-PMACEKPBSA-N 2 0 359.514 1.862 20 70 FDIDRP CC[NH+]1CCN(Cc2ccccc2C[NH2+]C2CCN(C(N)=O)CC2)CC1 ZINC000160340673 524862602 /nfs/dbraw/zinc/86/26/02/524862602.db2.gz DKZRFHNLRXNFLL-UHFFFAOYSA-N 2 0 359.518 1.457 20 70 FDIDRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(NS(C)(=O)=O)cc1 ZINC000160706213 524953377 /nfs/dbraw/zinc/95/33/77/524953377.db2.gz SNCXBZKKNSHTAX-CRAIPNDOSA-N 2 0 369.531 1.946 20 70 FDIDRP CC1CC[NH+](C[C@@H](O)CNC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000160843081 524980878 /nfs/dbraw/zinc/98/08/78/524980878.db2.gz NAVFHXUQXOOZQV-AEFFLSMTSA-N 2 0 352.523 1.395 20 70 FDIDRP C[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C[C@@H]1CCC[C@@H]1O ZINC000159813339 524743993 /nfs/dbraw/zinc/74/39/93/524743993.db2.gz LBACGJRNNGGCMM-PMACEKPBSA-N 2 0 359.514 1.991 20 70 FDIDRP O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000160024449 524791790 /nfs/dbraw/zinc/79/17/90/524791790.db2.gz PDDWAFBJVDVLOQ-UXHICEINSA-N 2 0 359.514 1.862 20 70 FDIDRP CCC[C@H]1CN(C(=O)NC[C@@H]2CC[NH+](CCC)C2)CC[N@@H+]1CCOC ZINC000160063967 524801380 /nfs/dbraw/zinc/80/13/80/524801380.db2.gz MFILNXRCZDICBM-ROUUACIJSA-N 2 0 354.539 1.861 20 70 FDIDRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000159553611 524695884 /nfs/dbraw/zinc/69/58/84/524695884.db2.gz HUPVTAFVVQEJEC-ZWKOTPCHSA-N 2 0 352.523 1.757 20 70 FDIDRP CC[N@@H+]1CCCN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000159577386 524699571 /nfs/dbraw/zinc/69/95/71/524699571.db2.gz GOBVSXIMNIMUAJ-UHFFFAOYSA-N 2 0 360.506 1.071 20 70 FDIDRP CC[N@@H+]1CCCN(C(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)CC1 ZINC000159917143 524767097 /nfs/dbraw/zinc/76/70/97/524767097.db2.gz ARDHUADOMSYWRQ-UHFFFAOYSA-N 3 0 365.566 1.674 20 70 FDIDRP CCC[C@@H]1CN(C(=O)NC2CC[NH+](C3CC3)CC2)CC[N@@H+]1CCOC ZINC000160092890 524808306 /nfs/dbraw/zinc/80/83/06/524808306.db2.gz LRKJRENTKJWJQN-GOSISDBHSA-N 2 0 352.523 1.756 20 70 FDIDRP CCC[C@@H]1CN(C(=O)NC[C@@H](C)C[NH+]2CCCC2)CC[N@@H+]1CCOC ZINC000160629286 524933469 /nfs/dbraw/zinc/93/34/69/524933469.db2.gz NLWKPIHULUBQSR-QZTJIDSGSA-N 2 0 354.539 1.861 20 70 FDIDRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000160673914 524943792 /nfs/dbraw/zinc/94/37/92/524943792.db2.gz XLTPAPHPJHNLOQ-QGZVFWFLSA-N 2 0 351.539 1.138 20 70 FDIDRP C[C@H](Cn1cc(Br)cn1)[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000160709463 524953764 /nfs/dbraw/zinc/95/37/64/524953764.db2.gz JKKSPUXAFHUFBG-UKRRQHHQSA-N 2 0 359.312 1.861 20 70 FDIDRP O=C(CC[NH+]1CCN(c2ccccc2)CC1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160262771 524844194 /nfs/dbraw/zinc/84/41/94/524844194.db2.gz UUXOGCNOXQLFNB-HXUWFJFHSA-N 2 0 374.529 1.162 20 70 FDIDRP C[C@H]1C[N@@H+](C2CCN(C(=O)N[C@@H]3CC[NH+](C4CCCC4)C3)CC2)CCO1 ZINC000160786325 524971641 /nfs/dbraw/zinc/97/16/41/524971641.db2.gz LRMCEAGUIYZADC-DLBZAZTESA-N 2 0 364.534 1.898 20 70 FDIDRP CCOC(=O)C1CCN(C(=O)[C@@H](C)N2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000161330212 525082220 /nfs/dbraw/zinc/08/22/20/525082220.db2.gz YINKLEPLKRFUAE-MRXNPFEDSA-N 2 0 374.485 1.394 20 70 FDIDRP CN1CC[NH+](CCCCNC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)CC1 ZINC000160433347 524888221 /nfs/dbraw/zinc/88/82/21/524888221.db2.gz AOHSQWLYTOKZDS-LJQANCHMSA-N 2 0 365.566 1.674 20 70 FDIDRP COCCN(Cc1ccccc1)Cc1cnc(N2CCN(C)CC2)nc1 ZINC000160447444 524891664 /nfs/dbraw/zinc/89/16/64/524891664.db2.gz HVGXRHCWIHJGRE-UHFFFAOYSA-N 2 0 355.486 1.877 20 70 FDIDRP CN(C)C(=O)CC1CCN(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000160728694 524957802 /nfs/dbraw/zinc/95/78/02/524957802.db2.gz XJRDGERSYIGZAV-LJQANCHMSA-N 2 0 374.529 1.596 20 70 FDIDRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000160998710 525012609 /nfs/dbraw/zinc/01/26/09/525012609.db2.gz DQQHFESTELREIE-LJQANCHMSA-N 3 0 367.582 1.822 20 70 FDIDRP CC[N@@H+]1CCCN(C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000159633782 524712691 /nfs/dbraw/zinc/71/26/91/524712691.db2.gz QXZJSKAGEQCMCY-UHFFFAOYSA-N 2 0 373.545 1.936 20 70 FDIDRP CC(C)N(CC[NH+](C)C)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000159755514 524732288 /nfs/dbraw/zinc/73/22/88/524732288.db2.gz IPLOWAMLPHCRMH-ROUUACIJSA-N 2 0 354.539 1.736 20 70 FDIDRP O=C(NC[C@@H](O)C[NH+]1CCc2ccccc2C1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000160610945 524929876 /nfs/dbraw/zinc/92/98/76/524929876.db2.gz ULECVPNVZJEKJS-WOJBJXKFSA-N 2 0 372.513 1.189 20 70 FDIDRP C[NH+]1CCN(Cc2ccc(C(=O)NC[C@@H](O)C[NH+]3CCCCC3)cc2)CC1 ZINC000160677136 524946115 /nfs/dbraw/zinc/94/61/15/524946115.db2.gz YPEMKMNWNUWSEA-HXUWFJFHSA-N 2 0 374.529 1.011 20 70 FDIDRP CCC[C@@H]1CN(C(=O)NC2CC[NH+](CCOC)CC2)CC[N@@H+]1CCOC ZINC000160993487 525012397 /nfs/dbraw/zinc/01/23/97/525012397.db2.gz KSORZYBUYKYHLU-GOSISDBHSA-N 2 0 370.538 1.240 20 70 FDIDRP Cc1c(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cnn1C1CCOCC1 ZINC000161272246 525069811 /nfs/dbraw/zinc/06/98/11/525069811.db2.gz YBYRBPXRAFNQPU-UHFFFAOYSA-N 2 0 351.495 1.108 20 70 FDIDRP