smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name FC(F)(F)[C@H]1CCC2(CC[NH2+]CC2)N1c1ccc2c(n1)CC[N@@H+](Cc1ccccc1)C2 ZINC001164413231 718880165 /nfs/dbraw/zinc/88/01/65/718880165.db2.gz DXVKJMDTTPAALQ-OAQYLSRUSA-N 2 0 430.518 4.293 20 0 IIADRP COc1cc2cc[nH+]c(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)c2cc1OC ZINC001164696599 719893630 /nfs/dbraw/zinc/89/36/30/719893630.db2.gz GERHQQDBFMQUIP-UHFFFAOYSA-N 2 0 439.581 4.185 20 0 IIADRP CC(C)[N@H+]1[C@@H]2CCN(c3[nH+]c(N4CCCC4)cc4ccccc43)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835160 720615394 /nfs/dbraw/zinc/61/53/94/720615394.db2.gz AEYGEQKPWQAGDL-GIFXNVAJSA-N 2 0 444.627 4.409 20 0 IIADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(C2)C[NH+](CC2CC2)C[C@H]3COC)nc1 ZINC001164819912 720195120 /nfs/dbraw/zinc/19/51/20/720195120.db2.gz YXPIAXKPSKXPIH-BFLUCZKCSA-N 2 0 426.649 4.203 20 0 IIADRP Cc1[nH+]c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)cc2[nH]ccc21 ZINC001164755595 720903118 /nfs/dbraw/zinc/90/31/18/720903118.db2.gz MCLOENXNXOTBJV-ATIYNZHBSA-N 2 0 431.584 4.021 20 0 IIADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC([NH+]3CCC(C(=O)OCC)CC3)CC2)nc1 ZINC001164617204 719034565 /nfs/dbraw/zinc/03/45/65/719034565.db2.gz JVVUMXWZGLCPRU-XMMPIXPASA-N 2 0 442.648 4.263 20 0 IIADRP CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)COCC[NH+](Cc2ccncc2)C3)nc1 ZINC001164965242 722061953 /nfs/dbraw/zinc/06/19/53/722061953.db2.gz JUAHDYIKHVRKCX-RUZDIDTESA-N 2 0 449.643 4.143 20 0 IIADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)nc1 ZINC001164972543 722153487 /nfs/dbraw/zinc/15/34/87/722153487.db2.gz IJBXTCSOUXGFJU-JIMJEQGWSA-N 2 0 449.643 4.141 20 0 IIADRP FC(F)(F)[C@@H]1CCC2(CC[NH2+]CC2)N1c1ccc2c(n1)CC[N@@H+](Cc1ccccc1)C2 ZINC001164413230 718880312 /nfs/dbraw/zinc/88/03/12/718880312.db2.gz DXVKJMDTTPAALQ-NRFANRHFSA-N 2 0 430.518 4.293 20 0 IIADRP CC(C)Oc1cc[nH+]c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1 ZINC001164758884 720894001 /nfs/dbraw/zinc/89/40/01/720894001.db2.gz ZYYGFWJGRABSQZ-ZEQKJWHPSA-N 2 0 436.600 4.019 20 0 IIADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N(Cc2cnc3n2CC[NH2+]CC3)c2ccccn2)nc1 ZINC001164770331 721041537 /nfs/dbraw/zinc/04/15/37/721041537.db2.gz XPRKANLJCYIMJT-HSZRJFAPSA-N 2 0 445.615 4.094 20 0 IIADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]([NH+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nc1 ZINC001164801455 721588157 /nfs/dbraw/zinc/58/81/57/721588157.db2.gz DWJQYPUIYUWHBR-AQCTUAEDSA-N 2 0 449.643 4.282 20 0 IIADRP CC(C)Oc1cc[nH+]c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1 ZINC001164758882 720893714 /nfs/dbraw/zinc/89/37/14/720893714.db2.gz ZYYGFWJGRABSQZ-JYFHCDHNSA-N 2 0 436.600 4.019 20 0 IIADRP Cc1cncc(COC[C@@]23CCC[C@@H]2CN(c2cc(OC4CC[NH+](C)CC4)cc[nH+]2)C3)c1 ZINC001164800710 721601598 /nfs/dbraw/zinc/60/15/98/721601598.db2.gz MPXPUBMJVSAXIG-GJZUVCINSA-N 2 0 436.600 4.081 20 0 IIADRP COc1cc2cc[nH+]c(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)c2cc1OC ZINC001165025967 721814376 /nfs/dbraw/zinc/81/43/76/721814376.db2.gz ONNPJFKHQBDNDZ-WWPVKYPJSA-N 2 0 432.568 4.384 20 0 IIADRP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1[nH+]ccc3cc(OC)ccc31)CC2 ZINC001164710656 720105607 /nfs/dbraw/zinc/10/56/07/720105607.db2.gz KODLAOQQOVJBGZ-JOCHJYFZSA-N 2 0 432.568 4.146 20 0 IIADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3C[NH+](Cc4cccnc4)CCO[C@H]3C2)nc1 ZINC001164972546 722153381 /nfs/dbraw/zinc/15/33/81/722153381.db2.gz IJBXTCSOUXGFJU-NXCFDTQHSA-N 2 0 449.643 4.141 20 0 IIADRP Fc1ccc(-c2nn(-c3nc(Cl)ccc3C[NH+]3CCCC3)c3c2CC[NH2+]CC3)cc1 ZINC001164804458 721597165 /nfs/dbraw/zinc/59/71/65/721597165.db2.gz YPBKKFGBPNABDB-UHFFFAOYSA-N 2 0 425.939 4.011 20 0 IIADRP FC(F)(F)[C@@H]1N(c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)CCC12CC[NH2+]CC2 ZINC001164389734 718814434 /nfs/dbraw/zinc/81/44/34/718814434.db2.gz YNTONJPEYGYNAL-JOCHJYFZSA-N 2 0 430.518 4.151 20 0 IIADRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1[nH+]ccc3c1ccn3Cc1ccccc1)C2 ZINC001164815884 720129944 /nfs/dbraw/zinc/12/99/44/720129944.db2.gz WXJVEGXVXABWIF-YIXXDRMTSA-N 2 0 430.596 4.269 20 0 IIADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@]3(C2)C[NH+](CC2CC2)C[C@H]3COC)nc1 ZINC001164819919 720194822 /nfs/dbraw/zinc/19/48/22/720194822.db2.gz YXPIAXKPSKXPIH-GSLIJJQTSA-N 2 0 426.649 4.203 20 0 IIADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCC(F)(F)[C@]4(CCN(c5ccccc5)C4)C3)c2)CC1 ZINC001164828234 720396008 /nfs/dbraw/zinc/39/60/08/720396008.db2.gz JCMYHSBLGRADRX-DEOSSOPVSA-N 2 0 442.554 4.297 20 0 IIADRP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3[nH+]c(N4CCCC4)cc4ccccc43)CC[C@@H]21 ZINC001164835159 720616299 /nfs/dbraw/zinc/61/62/99/720616299.db2.gz AEYGEQKPWQAGDL-CUYJMHBOSA-N 2 0 444.627 4.409 20 0 IIADRP Cc1cc2[nH]ccc2c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)[nH+]1 ZINC001164754037 720894087 /nfs/dbraw/zinc/89/40/87/720894087.db2.gz IKAMQZOFYXSXRO-ATIYNZHBSA-N 2 0 431.584 4.021 20 0 IIADRP Cc1[nH+]c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)cc2[nH]ccc21 ZINC001164755600 720904390 /nfs/dbraw/zinc/90/43/90/720904390.db2.gz MCLOENXNXOTBJV-GJZUVCINSA-N 2 0 431.584 4.021 20 0 IIADRP COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CC[NH+](C(C)(C)c1ccnc(Cl)c1)CC2 ZINC001164786359 721473851 /nfs/dbraw/zinc/47/38/51/721473851.db2.gz AXTDZMNXWVKLFL-NRFANRHFSA-N 2 0 436.040 4.200 20 0 IIADRP Cc1ccc(C[NH+]2CCC3(CCN(c4cccc(N5CCC([NH3+])CC5)[nH+]4)CC3)CC2)cc1 ZINC001164759134 721045393 /nfs/dbraw/zinc/04/53/93/721045393.db2.gz GQDHEBMDGPUPCR-UHFFFAOYSA-N 3 0 433.644 4.200 20 0 IIADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]([NH+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)nc1 ZINC001164801460 721588075 /nfs/dbraw/zinc/58/80/75/721588075.db2.gz DWJQYPUIYUWHBR-DPRQWMOBSA-N 2 0 449.643 4.282 20 0 IIADRP CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)COCC[NH+](Cc2ccncc2)C3)nc1 ZINC001164965245 722062059 /nfs/dbraw/zinc/06/20/59/722062059.db2.gz JUAHDYIKHVRKCX-VWLOTQADSA-N 2 0 449.643 4.143 20 0 IIADRP FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CC[C@@]2(C[NH2+]C[C@H]2c2ccccc2)C1 ZINC001164618857 719050497 /nfs/dbraw/zinc/05/04/97/719050497.db2.gz BZQQJDCGQMOKIZ-JTHBVZDNSA-N 2 0 444.957 4.240 20 0 IIADRP C[NH+](C)[C@@H]1CCCN(c2c3c(cnc2Cl)C2(CC[NH+](Cc4ccccc4)CC2)OC3)C1 ZINC001165036520 721894886 /nfs/dbraw/zinc/89/48/86/721894886.db2.gz SFKZOFZZDGDAOK-HXUWFJFHSA-N 2 0 441.019 4.287 20 0 IIADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@H]3C2)nc1 ZINC001164972539 722153405 /nfs/dbraw/zinc/15/34/05/722153405.db2.gz IJBXTCSOUXGFJU-CYXNTTPDSA-N 2 0 449.643 4.141 20 0 IIADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N(c2ncccc2F)[C@@H]2CO[C@]3(CC[NH2+]C3)C2)nc1 ZINC001164691631 719761095 /nfs/dbraw/zinc/76/10/95/719761095.db2.gz PIWJODSABMOERR-NIRIFSCTSA-N 2 0 439.579 4.212 20 0 IIADRP Cc1cncc(COC[C@@]23CCC[C@H]2CN(c2cc(OC4CC[NH+](C)CC4)cc[nH+]2)C3)c1 ZINC001164800718 721601714 /nfs/dbraw/zinc/60/17/14/721601714.db2.gz MPXPUBMJVSAXIG-NVQXNPDNSA-N 2 0 436.600 4.081 20 0 IIADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N(c2ccccn2)[C@@H]2C[NH2+]C[C@H]3CCCO[C@H]32)nc1 ZINC001164958748 722051205 /nfs/dbraw/zinc/05/12/05/722051205.db2.gz GBPMFYYCFWPIQM-ICLZECGLSA-N 2 0 435.616 4.319 20 0 IIADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N(c2ncccc2F)[C@H]2CO[C@@]3(CC[NH2+]C3)C2)nc1 ZINC001164691630 719759703 /nfs/dbraw/zinc/75/97/03/719759703.db2.gz PIWJODSABMOERR-LFAGZIFBSA-N 2 0 439.579 4.212 20 0 IIADRP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3[nH+]c(N4CCCC4)cc4ccccc43)CC[C@@H]21 ZINC001164835161 720616159 /nfs/dbraw/zinc/61/61/59/720616159.db2.gz AEYGEQKPWQAGDL-LSQMVHIFSA-N 2 0 444.627 4.409 20 0 IIADRP CC(C)[N@H+]1[C@@H]2CCN(c3[nH+]c(N4CCCC4)cc4ccccc43)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164835162 720616864 /nfs/dbraw/zinc/61/68/64/720616864.db2.gz AEYGEQKPWQAGDL-SONWIMMPSA-N 2 0 444.627 4.409 20 0 IIADRP Cc1ccc(C[NH+]2CCC3(CCN(c4ccc(OCC5CC[NH2+]CC5)nn4)CC3)CC2)cc1 ZINC001164759173 721046723 /nfs/dbraw/zinc/04/67/23/721046723.db2.gz IWNYBLKZJCQXOE-UHFFFAOYSA-N 2 0 449.643 4.046 20 0 IIADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]([NH+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)nc1 ZINC001164801466 721588323 /nfs/dbraw/zinc/58/83/23/721588323.db2.gz DWJQYPUIYUWHBR-HIQYAUPDSA-N 2 0 449.643 4.282 20 0 IIADRP FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001164618853 719050465 /nfs/dbraw/zinc/05/04/65/719050465.db2.gz BZQQJDCGQMOKIZ-GGAORHGYSA-N 2 0 444.957 4.240 20 0 IIADRP CC(C)(C)N(c1ccc2c(n1)CC[N@@H+](Cc1ccccc1)C2)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001164734072 720544623 /nfs/dbraw/zinc/54/46/23/720544623.db2.gz HFZBORZJCIALDD-QHCPKHFHSA-N 2 0 434.628 4.156 20 0 IIADRP COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CC[NH+](C(C)(C)c1ccnc(Cl)c1)CC2 ZINC001164786376 721473740 /nfs/dbraw/zinc/47/37/40/721473740.db2.gz AXTDZMNXWVKLFL-OAQYLSRUSA-N 2 0 436.040 4.200 20 0 IIADRP COc1cc2cc[nH+]c(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)c2cc1OC ZINC001165025964 721814440 /nfs/dbraw/zinc/81/44/40/721814440.db2.gz ONNPJFKHQBDNDZ-AJSBUHFISA-N 2 0 432.568 4.384 20 0 IIADRP CC(C)(C)N(c1ccc2c(n1)CC[N@@H+](Cc1ccccc1)C2)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001164734071 720544787 /nfs/dbraw/zinc/54/47/87/720544787.db2.gz HFZBORZJCIALDD-HSZRJFAPSA-N 2 0 434.628 4.156 20 0 IIADRP Cc1cc2[nH]ccc2c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)[nH+]1 ZINC001164754039 720893931 /nfs/dbraw/zinc/89/39/31/720893931.db2.gz IKAMQZOFYXSXRO-BKMJKUGQSA-N 2 0 431.584 4.021 20 0 IIADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCN(c4ccnc5cc(Cl)ccc54)CC3)c2)CC1 ZINC001165044577 721940014 /nfs/dbraw/zinc/94/00/14/721940014.db2.gz NUDORGUHBOKYFT-UHFFFAOYSA-N 2 0 437.975 4.083 20 0 IIADRP COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1[nH+]ccc3c1ccn3Cc1ccccc1)C2 ZINC001164815882 720129233 /nfs/dbraw/zinc/12/92/33/720129233.db2.gz WXJVEGXVXABWIF-KCWPFWIISA-N 2 0 430.596 4.269 20 0 IIADRP CC(C)Oc1cc[nH+]c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1 ZINC001164758880 720894042 /nfs/dbraw/zinc/89/40/42/720894042.db2.gz ZYYGFWJGRABSQZ-BVAGGSTKSA-N 2 0 436.600 4.019 20 0 IIADRP Cc1cncc(COC[C@]23CCC[C@@H]2CN(c2cc(OC4CC[NH+](C)CC4)cc[nH+]2)C3)c1 ZINC001164800685 721601684 /nfs/dbraw/zinc/60/16/84/721601684.db2.gz MPXPUBMJVSAXIG-ATIYNZHBSA-N 2 0 436.600 4.081 20 0 IIADRP COc1cc2c[nH+]c(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)cc2cc1OC ZINC001165027522 721825835 /nfs/dbraw/zinc/82/58/35/721825835.db2.gz SMVXCBFXXMIRLX-CDNPAEQRSA-N 2 0 432.568 4.384 20 0 IIADRP Cc1[nH+]c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)cc2[nH]ccc21 ZINC001164755602 720903273 /nfs/dbraw/zinc/90/32/73/720903273.db2.gz MCLOENXNXOTBJV-NVQXNPDNSA-N 2 0 431.584 4.021 20 0 IIADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]([NH+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)nc1 ZINC001164801470 721588716 /nfs/dbraw/zinc/58/87/16/721588716.db2.gz DWJQYPUIYUWHBR-QUUPDEESSA-N 2 0 449.643 4.282 20 0 IIADRP CCOC(=O)C1CC[NH+](C2CCN(c3[nH+]c(N4CCCC4)cc4ccccc43)CC2)CC1 ZINC001164618587 719032619 /nfs/dbraw/zinc/03/26/19/719032619.db2.gz UYIGKJXYFSXABE-UHFFFAOYSA-N 2 0 436.600 4.079 20 0 IIADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCC(F)(F)[C@@]4(CCN(c5ccccc5)C4)C3)c2)CC1 ZINC001164828236 720396075 /nfs/dbraw/zinc/39/60/75/720396075.db2.gz JCMYHSBLGRADRX-XMMPIXPASA-N 2 0 442.554 4.297 20 0 IIADRP Cc1cncc(COC[C@]23CCC[C@H]2CN(c2cc(OC4CC[NH+](C)CC4)cc[nH+]2)C3)c1 ZINC001164800702 721601688 /nfs/dbraw/zinc/60/16/88/721601688.db2.gz MPXPUBMJVSAXIG-BKMJKUGQSA-N 2 0 436.600 4.081 20 0 IIADRP COc1cc2c[nH+]c(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)cc2cc1OC ZINC001165027527 721825895 /nfs/dbraw/zinc/82/58/95/721825895.db2.gz SMVXCBFXXMIRLX-TZYHBYERSA-N 2 0 432.568 4.384 20 0 IIADRP Cc1cc2[nH]ccc2c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)[nH+]1 ZINC001164754041 720893785 /nfs/dbraw/zinc/89/37/85/720893785.db2.gz IKAMQZOFYXSXRO-GJZUVCINSA-N 2 0 431.584 4.021 20 0 IIADRP COc1cc2c[nH+]c(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)cc2cc1OC ZINC001165027525 721825874 /nfs/dbraw/zinc/82/58/74/721825874.db2.gz SMVXCBFXXMIRLX-OFAXGOBFSA-N 2 0 432.568 4.384 20 0 IIADRP Cc1[nH+]c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)cc2[nH]ccc21 ZINC001164755597 720904551 /nfs/dbraw/zinc/90/45/51/720904551.db2.gz MCLOENXNXOTBJV-BKMJKUGQSA-N 2 0 431.584 4.021 20 0 IIADRP CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ccc3c(n1)CC[NH+](Cc1ccccc1)C3)[C@@H]2C ZINC001164857762 720946409 /nfs/dbraw/zinc/94/64/09/720946409.db2.gz HBWUJOMZDZTUGL-OAQYLSRUSA-N 2 0 444.627 4.258 20 0 IIADRP CCC[N@@H+]1CCCC[C@H]1c1ccc(N(Cc2cnc3n2CC[NH2+]CC3)c2ccccn2)nc1 ZINC001164770336 721041471 /nfs/dbraw/zinc/04/14/71/721041471.db2.gz XPRKANLJCYIMJT-QHCPKHFHSA-N 2 0 445.615 4.094 20 0 IIADRP [NH3+]CC1(F)CCN(c2c3c(cnc2Cl)C2(CC[NH+](Cc4ccccc4)CC2)OC3)CC1 ZINC001164390658 718812861 /nfs/dbraw/zinc/81/28/61/718812861.db2.gz BSSGSWSHUPEVHX-UHFFFAOYSA-N 2 0 444.982 4.024 20 0 IIADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@]3(C2)C[NH+](CC2CC2)C[C@@H]3COC)nc1 ZINC001164819921 720194686 /nfs/dbraw/zinc/19/46/86/720194686.db2.gz YXPIAXKPSKXPIH-MZKUHISZSA-N 2 0 426.649 4.203 20 0 IIADRP CC(C)Oc1cc[nH+]c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1 ZINC001164758883 720893915 /nfs/dbraw/zinc/89/39/15/720893915.db2.gz ZYYGFWJGRABSQZ-OZXSUGGESA-N 2 0 436.600 4.019 20 0 IIADRP C[NH+](C)[C@H]1CCCN(c2c3c(cnc2Cl)C2(CC[NH+](Cc4ccccc4)CC2)OC3)C1 ZINC001165036519 721894735 /nfs/dbraw/zinc/89/47/35/721894735.db2.gz SFKZOFZZDGDAOK-FQEVSTJZSA-N 2 0 441.019 4.287 20 0 IIADRP COc1cc2c[nH+]c(N3CCC4(CC3)C[N@H+](Cc3ccc(C)cc3)CCO4)cc2cc1OC ZINC001164940614 721931901 /nfs/dbraw/zinc/93/19/01/721931901.db2.gz URPSVQWRLJEVQU-UHFFFAOYSA-N 2 0 447.579 4.432 20 0 IIADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N(c2ccccn2)[C@@H]2C[NH2+]C[C@@H]3CCCO[C@@H]23)nc1 ZINC001164958753 722051371 /nfs/dbraw/zinc/05/13/71/722051371.db2.gz GBPMFYYCFWPIQM-NZCWTCFWSA-N 2 0 435.616 4.319 20 0 IIADRP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CC[NH+](C(C)(C)c1ccnc(Cl)c1)CC2 ZINC001164714627 720158358 /nfs/dbraw/zinc/15/83/58/720158358.db2.gz QWXBSGVJJVMBMX-OAQYLSRUSA-N 2 0 429.008 4.368 20 0 IIADRP CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ccc3c(n1)CC[NH+](Cc1ccccc1)C3)[C@H]2C ZINC001164857756 720945646 /nfs/dbraw/zinc/94/56/46/720945646.db2.gz HBWUJOMZDZTUGL-NRFANRHFSA-N 2 0 444.627 4.258 20 0 IIADRP COc1cc2cc[nH+]c(N3CCC4(CC3)C[N@H+](Cc3ccc(C)cc3)CCO4)c2cc1OC ZINC001164939323 721927487 /nfs/dbraw/zinc/92/74/87/721927487.db2.gz ILXFEJYYYRWLTI-UHFFFAOYSA-N 2 0 447.579 4.432 20 0 IIADRP FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001164618850 719050580 /nfs/dbraw/zinc/05/05/80/719050580.db2.gz BZQQJDCGQMOKIZ-FYYLOGMGSA-N 2 0 444.957 4.240 20 0 IIADRP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CC[NH+](C(C)(C)c1ccnc(Cl)c1)CC2 ZINC001164714621 720157689 /nfs/dbraw/zinc/15/76/89/720157689.db2.gz QWXBSGVJJVMBMX-NRFANRHFSA-N 2 0 429.008 4.368 20 0 IIADRP OC[C@]1([NH2+]Cc2cccc(C[NH+]3CCCCC3)c2)CCc2cc(Br)ccc2C1 ZINC001196104031 1126153434 /nfs/dbraw/zinc/15/34/34/1126153434.db2.gz KHKFDABXOHHTFV-DEOSSOPVSA-N 2 0 443.429 4.445 20 0 IIADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N(c2ncccc2F)[C@H]2CO[C@]3(CC[NH2+]C3)C2)nc1 ZINC001164691632 719761444 /nfs/dbraw/zinc/76/14/44/719761444.db2.gz PIWJODSABMOERR-QFZWGZQFSA-N 2 0 439.579 4.212 20 0 IIADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N(c2ccccn2)[C@@H]2C[NH2+]C[C@@H]3CCCO[C@H]23)nc1 ZINC001164958751 722051238 /nfs/dbraw/zinc/05/12/38/722051238.db2.gz GBPMFYYCFWPIQM-JTKRFKOTSA-N 2 0 435.616 4.319 20 0 IIADRP COc1cc2cc[nH+]c(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)c2cc1OC ZINC001165025965 721814604 /nfs/dbraw/zinc/81/46/04/721814604.db2.gz ONNPJFKHQBDNDZ-PMOQBDJRSA-N 2 0 432.568 4.384 20 0 IIADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N(c2ccccn2)[C@@H]2C[NH2+]C[C@H]3CCCO[C@@H]32)nc1 ZINC001164958747 722051306 /nfs/dbraw/zinc/05/13/06/722051306.db2.gz GBPMFYYCFWPIQM-FCBCXNLDSA-N 2 0 435.616 4.319 20 0 IIADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)nc1 ZINC001164972550 722153465 /nfs/dbraw/zinc/15/34/65/722153465.db2.gz IJBXTCSOUXGFJU-TWJOJJKGSA-N 2 0 449.643 4.141 20 0 IIADRP COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1[nH+]ccc3c1ccn3Cc1ccccc1)C2 ZINC001164815881 720129020 /nfs/dbraw/zinc/12/90/20/720129020.db2.gz WXJVEGXVXABWIF-HOFKKMOUSA-N 2 0 430.596 4.269 20 0 IIADRP FC(F)(F)[C@H]1N(c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)CCC12CC[NH2+]CC2 ZINC001164389737 718814352 /nfs/dbraw/zinc/81/43/52/718814352.db2.gz YNTONJPEYGYNAL-QFIPXVFZSA-N 2 0 430.518 4.151 20 0 IIADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N(c2ncccc2F)[C@@H]2CO[C@@]3(CC[NH2+]C3)C2)nc1 ZINC001164691629 719759822 /nfs/dbraw/zinc/75/98/22/719759822.db2.gz PIWJODSABMOERR-HOKHCIIBSA-N 2 0 439.579 4.212 20 0 IIADRP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1[nH+]ccc3c1ccn3Cc1ccccc1)C2 ZINC001164815883 720130045 /nfs/dbraw/zinc/13/00/45/720130045.db2.gz WXJVEGXVXABWIF-WNCULLNHSA-N 2 0 430.596 4.269 20 0 IIADRP Cc1cc2[nH]ccc2c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)[nH+]1 ZINC001164754043 720893995 /nfs/dbraw/zinc/89/39/95/720893995.db2.gz IKAMQZOFYXSXRO-NVQXNPDNSA-N 2 0 431.584 4.021 20 0 IIADRP COc1cc2cc[nH+]c(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)c2cc1OC ZINC001165025966 721814485 /nfs/dbraw/zinc/81/44/85/721814485.db2.gz ONNPJFKHQBDNDZ-VJBMBRPKSA-N 2 0 432.568 4.384 20 0 IIADRP OC[C@@]1([NH2+]Cc2cccc(C[NH+]3CCCCC3)c2)CCc2cc(Br)ccc2C1 ZINC001196104036 1126153596 /nfs/dbraw/zinc/15/35/96/1126153596.db2.gz KHKFDABXOHHTFV-XMMPIXPASA-N 2 0 443.429 4.445 20 0 IIADRP CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC([NH+]3CCC(C(=O)OCC)CC3)CC2)nc1 ZINC001164617202 719034841 /nfs/dbraw/zinc/03/48/41/719034841.db2.gz JVVUMXWZGLCPRU-DEOSSOPVSA-N 2 0 442.648 4.263 20 0 IIADRP FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CC[C@]2(C[NH2+]C[C@H]2c2ccccc2)C1 ZINC001164618854 719050388 /nfs/dbraw/zinc/05/03/88/719050388.db2.gz BZQQJDCGQMOKIZ-GMAHTHKFSA-N 2 0 444.957 4.240 20 0 IIADRP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1[nH+]ccc3cc(OC)ccc31)CC2 ZINC001164710657 720106423 /nfs/dbraw/zinc/10/64/23/720106423.db2.gz KODLAOQQOVJBGZ-QFIPXVFZSA-N 2 0 432.568 4.146 20 0 IIADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(C2)C[NH+](CC2CC2)C[C@@H]3COC)nc1 ZINC001164819917 720194844 /nfs/dbraw/zinc/19/48/44/720194844.db2.gz YXPIAXKPSKXPIH-DGWZTRNLSA-N 2 0 426.649 4.203 20 0 IIADRP Cc1ccc(C[NH+]2CCC3(CCN(c4cccc(N5CC[NH+](C)CC5)n4)CC3)CC2)cc1 ZINC001164759148 721044773 /nfs/dbraw/zinc/04/47/73/721044773.db2.gz HAVLRHJDOJCCKK-UHFFFAOYSA-N 2 0 433.644 4.024 20 0 IIADRP COc1cc2c[nH+]c(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)cc2cc1OC ZINC001165027524 721825964 /nfs/dbraw/zinc/82/59/64/721825964.db2.gz SMVXCBFXXMIRLX-NMNUPHIUSA-N 2 0 432.568 4.384 20 0 IIADRP