smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)CCCNCc1c[nH]c(=O)[n-]c1=O ZINC000001564524 383905118 /nfs/dbraw/zinc/90/51/18/383905118.db2.gz SYGRPUSRJQCVLP-UHFFFAOYSA-N 0 3 226.280 -0.896 40 0 BBABHN O=C1NC(=O)[C@@H](C23CCN(CC2)CC3)N1 ZINC000001568400 342703380 /nfs/dbraw/zinc/70/33/80/342703380.db2.gz AVFLVOSKWMDKQI-ZETCQYMHSA-N 0 3 209.249 -0.320 40 0 BBABHN CC[C@H](N)C(=O)N[C@H](C(N)=O)C(C)C ZINC000001576280 397770198 /nfs/dbraw/zinc/77/01/98/397770198.db2.gz SIEMWBZOKDHHNZ-BQBZGAKWSA-N 0 3 201.270 -0.650 40 0 BBABHN CC[C@@H](N)C(=O)N[C@H](C(N)=O)C(C)C ZINC000001576281 397770191 /nfs/dbraw/zinc/77/01/91/397770191.db2.gz SIEMWBZOKDHHNZ-RQJHMYQMSA-N 0 3 201.270 -0.650 40 0 BBABHN CC[C@H](N)C(=O)N[C@@H](C(N)=O)C(C)C ZINC000001576282 397770172 /nfs/dbraw/zinc/77/01/72/397770172.db2.gz SIEMWBZOKDHHNZ-NKWVEPMBSA-N 0 3 201.270 -0.650 40 0 BBABHN CC[C@@H](N)C(=O)N[C@@H](C(N)=O)C(C)C ZINC000001576283 397770182 /nfs/dbraw/zinc/77/01/82/397770182.db2.gz SIEMWBZOKDHHNZ-RNFRBKRXSA-N 0 3 201.270 -0.650 40 0 BBABHN CC(C)C[C@H](NC(=O)[C@@H](C)N)C(N)=O ZINC000001578635 191117991 /nfs/dbraw/zinc/11/79/91/191117991.db2.gz YXGZZYSVTBYGNJ-RQJHMYQMSA-N 0 3 201.270 -0.650 40 0 BBABHN CC(C)C[C@@H](NC(=O)[C@@H](C)N)C(N)=O ZINC000001578636 191118015 /nfs/dbraw/zinc/11/80/15/191118015.db2.gz YXGZZYSVTBYGNJ-RNFRBKRXSA-N 0 3 201.270 -0.650 40 0 BBABHN CC(C)C[C@@H](NC(=O)[C@H](C)N)C(N)=O ZINC000001578638 384409226 /nfs/dbraw/zinc/40/92/26/384409226.db2.gz YXGZZYSVTBYGNJ-NKWVEPMBSA-N 0 3 201.270 -0.650 40 0 BBABHN CN(C)CC(CO)(CN(C)C)CN(C)C ZINC000001636917 383915037 /nfs/dbraw/zinc/91/50/37/383915037.db2.gz DHAJNMVHAHUQDU-UHFFFAOYSA-N 0 3 217.357 -0.350 40 0 BBABHN CN(C)CCOC(=O)CCOCCN1CC1 ZINC000001667836 342707546 /nfs/dbraw/zinc/70/75/46/342707546.db2.gz GEGOSONMZMYUGN-UHFFFAOYSA-N 0 3 230.308 -0.187 40 0 BBABHN NC(=O)C1(N(CCO)CCO)CCCC1 ZINC000001677909 181213772 /nfs/dbraw/zinc/21/37/72/181213772.db2.gz XPJYPWNRHPKFMP-UHFFFAOYSA-N 0 3 216.281 -0.929 40 0 BBABHN OCCNc1n[nH]c(NCCO)c2ncnc1-2 ZINC000001692108 183081201 /nfs/dbraw/zinc/08/12/01/183081201.db2.gz VMNMHBHRMRZGTD-UHFFFAOYSA-N 0 3 238.251 -0.839 40 0 BBABHN COC(=O)c1cc(C)n(C)c(=O)c1CN ZINC000001723633 383930169 /nfs/dbraw/zinc/93/01/69/383930169.db2.gz VHRZBADTFFYURV-UHFFFAOYSA-N 0 3 210.233 -0.061 40 0 BBABHN CC(C)[C@H](N)C(=O)NCCCC[C@H]([NH3+])C(=O)[O-] ZINC000001737889 574411518 /nfs/dbraw/zinc/41/15/18/574411518.db2.gz RAXAFPFBNYFHTK-IUCAKERBSA-N 0 3 245.323 -0.332 40 0 endogenous,in-vitro BBABHN CC(C)[C@@H](N)C(=O)NCCCC[C@H]([NH3+])C(=O)[O-] ZINC000001737892 574411511 /nfs/dbraw/zinc/41/15/11/574411511.db2.gz RAXAFPFBNYFHTK-DTWKUNHWSA-N 0 3 245.323 -0.332 40 0 endogenous,in-vitro BBABHN CC(C)[C@H](N)C(=O)NCCCC[C@@H]([NH3+])C(=O)[O-] ZINC000001737894 574411520 /nfs/dbraw/zinc/41/15/20/574411520.db2.gz RAXAFPFBNYFHTK-BDAKNGLRSA-N 0 3 245.323 -0.332 40 0 endogenous,in-vitro BBABHN CC(C)[C@@H](N)C(=O)NCCCC[C@@H]([NH3+])C(=O)[O-] ZINC000001737898 574411506 /nfs/dbraw/zinc/41/15/06/574411506.db2.gz RAXAFPFBNYFHTK-RKDXNWHRSA-N 0 3 245.323 -0.332 40 0 endogenous,in-vitro BBABHN CCOC(=O)[C@](C)(NC(=O)CN)C1CC1 ZINC000001763108 170283354 /nfs/dbraw/zinc/28/33/54/170283354.db2.gz WQIXVKHRIDKXON-SNVBAGLBSA-N 0 3 214.265 -0.207 40 0 BBABHN COC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C ZINC000002386642 370447199 /nfs/dbraw/zinc/44/71/99/370447199.db2.gz HFERNNXIGSVLPO-BQBZGAKWSA-N 0 3 202.254 -0.353 40 0 BBABHN CS(=O)(=O)c1ccc([C@@H](O)[C@H](N)CO)cc1 ZINC000002569289 383976879 /nfs/dbraw/zinc/97/68/79/383976879.db2.gz CIAZEFCFQFQJLB-NXEZZACHSA-N 0 3 245.300 -0.557 40 0 BBABHN CC(C)C[C@H](N)C(=O)N[C@@H](C)C(N)=O ZINC000002579081 188274943 /nfs/dbraw/zinc/27/49/43/188274943.db2.gz JJTPRHRVLWFJNS-BQBZGAKWSA-N 0 3 201.270 -0.650 40 0 BBABHN COCCNC(=S)NCCN(C)C ZINC000002766468 174330277 /nfs/dbraw/zinc/33/02/77/174330277.db2.gz KDDJOEHJLZNBPM-UHFFFAOYSA-N 0 3 205.327 -0.342 40 0 BBABHN N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000003791059 181378921 /nfs/dbraw/zinc/37/89/21/181378921.db2.gz AIXUQKMMBQJZCU-IUCAKERBSA-N 0 3 243.307 -0.482 40 0 endogenous,in-man BBABHN COCc1cn([C@H]2CO[C@H]3[C@@H]2OC[C@@H]3N)nn1 ZINC000004260895 372187695 /nfs/dbraw/zinc/18/76/95/372187695.db2.gz JBCXORUUHLXZKF-AXTSPUMRSA-N 0 3 240.263 -0.910 40 0 biogenic,in-vitro BBABHN NC(=O)C1CCN(C(=O)[C@@H]2CCCCN2)CC1 ZINC000004312874 181216737 /nfs/dbraw/zinc/21/67/37/181216737.db2.gz BXEYMHGLINHOKZ-JTQLQIEISA-N 0 3 239.319 -0.148 40 0 BBABHN NC(=O)C1CCN(C(=O)[C@H]2CCCCN2)CC1 ZINC000004312875 181216878 /nfs/dbraw/zinc/21/68/78/181216878.db2.gz BXEYMHGLINHOKZ-SNVBAGLBSA-N 0 3 239.319 -0.148 40 0 BBABHN CC[C@@H](C)[C@H](N)C(=O)N[C@@H](C)C(N)=O ZINC000004611628 346606207 /nfs/dbraw/zinc/60/62/07/346606207.db2.gz HIXZNVCQXQTOSJ-VQVTYTSYSA-N 0 3 201.270 -0.650 40 0 BBABHN CC[C@H](C)[C@H](N)C(=O)N[C@@H](C)C(N)=O ZINC000004611630 171396008 /nfs/dbraw/zinc/39/60/08/171396008.db2.gz HIXZNVCQXQTOSJ-ACZMJKKPSA-N 0 3 201.270 -0.650 40 0 BBABHN CC[C@@H](C)[C@@H](N)C(=O)N[C@@H](C)C(N)=O ZINC000004611631 346605985 /nfs/dbraw/zinc/60/59/85/346605985.db2.gz HIXZNVCQXQTOSJ-DSYKOEDSSA-N 0 3 201.270 -0.650 40 0 BBABHN CC[C@H](C)[C@@H](N)C(=O)N[C@@H](C)C(N)=O ZINC000004611632 171370906 /nfs/dbraw/zinc/37/09/06/171370906.db2.gz HIXZNVCQXQTOSJ-LYFYHCNISA-N 0 3 201.270 -0.650 40 0 BBABHN CC[C@@H](C)[C@H](NC(=O)[C@@H](C)N)C(N)=O ZINC000004762127 346607251 /nfs/dbraw/zinc/60/72/51/346607251.db2.gz MFJNBUBXDPFZAF-QYNIQEEDSA-N 0 3 201.270 -0.650 40 0 BBABHN CC[C@@H](C)[C@@H](NC(=O)[C@@H](C)N)C(N)=O ZINC000004762133 346607618 /nfs/dbraw/zinc/60/76/18/346607618.db2.gz MFJNBUBXDPFZAF-FSDSQADBSA-N 0 3 201.270 -0.650 40 0 BBABHN COC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N ZINC000004899733 173722723 /nfs/dbraw/zinc/72/27/23/173722723.db2.gz WKMFENXPTHYYIW-BQBZGAKWSA-N 0 3 200.238 -0.502 40 0 BBABHN O=C(CNC[C@H]1CCCO1)N1CCOCC1 ZINC000004969133 181979261 /nfs/dbraw/zinc/97/92/61/181979261.db2.gz YBIWMVPCKZDFKO-SNVBAGLBSA-N 0 3 228.292 -0.386 40 0 BBABHN O=C(CNC[C@@H]1CCCO1)N1CCOCC1 ZINC000004969134 346258116 /nfs/dbraw/zinc/25/81/16/346258116.db2.gz YBIWMVPCKZDFKO-JTQLQIEISA-N 0 3 228.292 -0.386 40 0 BBABHN COCCNC(=O)CNC[C@@H]1CCCO1 ZINC000004969138 174321500 /nfs/dbraw/zinc/32/15/00/174321500.db2.gz MAOSIRCVWKPVNS-VIFPVBQESA-N 0 3 216.281 -0.482 40 0 BBABHN COCCNC(=O)CNC[C@H]1CCCO1 ZINC000004969140 174321550 /nfs/dbraw/zinc/32/15/50/174321550.db2.gz MAOSIRCVWKPVNS-SECBINFHSA-N 0 3 216.281 -0.482 40 0 BBABHN C[C@H](N)C(=O)N1CCOCCOCCOCC1 ZINC000005004266 176746724 /nfs/dbraw/zinc/74/67/24/176746724.db2.gz RDRHTDLXBYOQQM-JTQLQIEISA-N 0 3 246.307 -0.774 40 0 BBABHN C[C@@H](N)C(=O)N1CCOCCOCCOCC1 ZINC000005004283 342756227 /nfs/dbraw/zinc/75/62/27/342756227.db2.gz RDRHTDLXBYOQQM-SNVBAGLBSA-N 0 3 246.307 -0.774 40 0 BBABHN O=C1NC(=O)[C@H](C23CCN(CC2)CC3)N1 ZINC000005572680 342766336 /nfs/dbraw/zinc/76/63/36/342766336.db2.gz AVFLVOSKWMDKQI-SSDOTTSWSA-N 0 3 209.249 -0.320 40 0 BBABHN CC(C)CCNC(=O)C(=O)NCCN(C)C ZINC000006325536 346647819 /nfs/dbraw/zinc/64/78/19/346647819.db2.gz FOSNRUFYIKAQIC-UHFFFAOYSA-N 0 3 229.324 -0.174 40 0 BBABHN CCOC(=O)[C@@](C)(NC(=O)CN)C1CC1 ZINC000006403553 170261221 /nfs/dbraw/zinc/26/12/21/170261221.db2.gz WQIXVKHRIDKXON-JTQLQIEISA-N 0 3 214.265 -0.207 40 0 BBABHN CCCCNC(=O)C(=O)NCCN(C)C ZINC000006648000 346652629 /nfs/dbraw/zinc/65/26/29/346652629.db2.gz ASXUSGSJDSVATP-UHFFFAOYSA-N 0 3 215.297 -0.420 40 0 BBABHN CN(C)CCNC(=O)C(=O)NCc1ccccc1 ZINC000008091157 385232931 /nfs/dbraw/zinc/23/29/31/385232931.db2.gz DFLAQIMJXUXTCG-UHFFFAOYSA-N 0 3 249.314 -0.019 40 0 BBABHN Nc1nc(N)c(Cn2ccnc2)c(=O)[nH]1 ZINC000008582224 342801048 /nfs/dbraw/zinc/80/10/48/342801048.db2.gz NVBKABPAJGUMCE-UHFFFAOYSA-N 0 3 206.209 -0.409 40 0 in-vitro BBABHN CN(C)CCNC(=O)C(=O)NC1CCCC1 ZINC000009855324 346742919 /nfs/dbraw/zinc/74/29/19/346742919.db2.gz GHFGMGYUDLSKQG-UHFFFAOYSA-N 0 3 227.308 -0.277 40 0 BBABHN CN(C)CCNC(=O)C(=O)NCc1ccco1 ZINC000009910039 346745556 /nfs/dbraw/zinc/74/55/56/346745556.db2.gz XWTMWAVLFYXCEG-UHFFFAOYSA-N 0 3 239.275 -0.426 40 0 BBABHN CSCC[C@H](N)C(=O)N1CCOCC1 ZINC000011754917 370745502 /nfs/dbraw/zinc/74/55/02/370745502.db2.gz AQZUBPSZTAQTFB-QMMMGPOBSA-N 0 3 218.322 -0.074 40 0 BBABHN CSCC[C@H](N)C(=O)N1CCN(C)CC1 ZINC000011754921 370745410 /nfs/dbraw/zinc/74/54/10/370745410.db2.gz YRWRWSRUJFGGSS-VIFPVBQESA-N 0 3 231.365 -0.159 40 0 BBABHN COCCNC(=O)[C@@H](N)CCSC ZINC000011949703 174325559 /nfs/dbraw/zinc/32/55/59/174325559.db2.gz BDRIAZJKJFDZEB-ZETCQYMHSA-N 0 3 206.311 -0.171 40 0 BBABHN NCC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000011957082 181349689 /nfs/dbraw/zinc/34/96/89/181349689.db2.gz BYVLIZXLQMEPDK-UHFFFAOYSA-N 0 3 237.259 -0.477 40 0 BBABHN NCC(=O)N1CCN(c2ncccn2)CC1 ZINC000011957089 132321033 /nfs/dbraw/zinc/32/10/33/132321033.db2.gz GXCLAVHQLLWTRT-UHFFFAOYSA-N 0 3 221.264 -0.916 40 0 BBABHN CCOC(=O)N1CCN(C(=O)[C@H](C)N)CC1 ZINC000011957916 170240239 /nfs/dbraw/zinc/24/02/39/170240239.db2.gz WRBVCOALAPDOKX-QMMMGPOBSA-N 0 3 229.280 -0.366 40 0 BBABHN C[C@H](N)C(=O)N1CCN(c2ncccn2)CC1 ZINC000011957960 132321081 /nfs/dbraw/zinc/32/10/81/132321081.db2.gz BNZRVIDOYMLKGW-VIFPVBQESA-N 0 3 235.291 -0.528 40 0 BBABHN CC(=O)N1CCN(C(=O)[C@@H](N)C(C)C)CC1 ZINC000011958343 187414821 /nfs/dbraw/zinc/41/48/21/187414821.db2.gz XPLCOIIDOSWMEV-JTQLQIEISA-N 0 3 227.308 -0.340 40 0 BBABHN CSc1nnc([C@@H]2C[C@@H](O)CN2)n1C ZINC000012113576 342846745 /nfs/dbraw/zinc/84/67/45/342846745.db2.gz MCRSYZHNGPQWRI-RITPCOANSA-N 0 3 214.294 -0.068 40 0 BBABHN CSc1nnc([C@H]2C[C@@H](O)CN2)n1C ZINC000012113577 342846724 /nfs/dbraw/zinc/84/67/24/342846724.db2.gz MCRSYZHNGPQWRI-PHDIDXHHSA-N 0 3 214.294 -0.068 40 0 BBABHN CSc1nnc([C@@H]2C[C@H](O)CN2)n1C ZINC000012113578 342846664 /nfs/dbraw/zinc/84/66/64/342846664.db2.gz MCRSYZHNGPQWRI-WDSKDSINSA-N 0 3 214.294 -0.068 40 0 BBABHN CSc1nnc([C@H]2C[C@H](O)CN2)n1C ZINC000012113579 342846731 /nfs/dbraw/zinc/84/67/31/342846731.db2.gz MCRSYZHNGPQWRI-NTSWFWBYSA-N 0 3 214.294 -0.068 40 0 BBABHN C[C@H](N)Cn1nnn(-c2ccccc2)c1=O ZINC000012186155 342847606 /nfs/dbraw/zinc/84/76/06/342847606.db2.gz GRIUETYEXXELPQ-QMMMGPOBSA-N 0 3 219.248 -0.224 40 0 BBABHN N[C@@H]1[C@H]2CO[C@H](O2)[C@H](N2CCCCC2)[C@H]1O ZINC000012529619 351924101 /nfs/dbraw/zinc/92/41/01/351924101.db2.gz LSGIJENCKWZHBZ-MVCUBJFGSA-N 0 3 228.292 -0.716 40 0 biogenic,in-vitro BBABHN CCOC(=O)C1C(=O)N2CCCC[C@H]2[C@@H]1N ZINC000012650400 170256920 /nfs/dbraw/zinc/25/69/20/170256920.db2.gz TTYRELSLCVFSGM-CIUDSAMLSA-N 0 3 226.276 -0.112 40 0 BBABHN CCOC(=O)C1C(=O)N2CCCC[C@H]2[C@H]1N ZINC000012650408 170256841 /nfs/dbraw/zinc/25/68/41/170256841.db2.gz TTYRELSLCVFSGM-XHNCKOQMSA-N 0 3 226.276 -0.112 40 0 BBABHN C[C@H](N)Cn1nnn(-c2ccco2)c1=O ZINC000013566567 397845390 /nfs/dbraw/zinc/84/53/90/397845390.db2.gz TXUDLFMNFLLSOL-LURJTMIESA-N 0 3 209.209 -0.631 40 0 BBABHN NCCn1nnn(-c2cccs2)c1=O ZINC000013566707 384483443 /nfs/dbraw/zinc/48/34/43/384483443.db2.gz CZDUWXOLAMNXJA-UHFFFAOYSA-N 0 3 211.250 -0.551 40 0 BBABHN Nc1nc2c3c(n1)NC(=O)CC3C(=O)N2 ZINC000013637566 342869211 /nfs/dbraw/zinc/86/92/11/342869211.db2.gz WVJHSPAQJFMVET-UWTATZPHSA-N 0 3 205.177 -0.563 40 0 BBABHN CN(C)CCOCCOCCOCCO ZINC000016163160 342907609 /nfs/dbraw/zinc/90/76/09/342907609.db2.gz WAPFDAOLMRKKHL-UHFFFAOYSA-N 0 3 221.297 -0.410 40 0 BBABHN CN(C)CCNN[C@@H]1CCCN(C)C1 ZINC000019167109 384509187 /nfs/dbraw/zinc/50/91/87/384509187.db2.gz ROPGTZJTQAZQKZ-SNVBAGLBSA-N 0 3 200.330 -0.264 40 0 BBABHN CN(C)CCNN[C@H]1CCCN(C)C1 ZINC000019167111 384510247 /nfs/dbraw/zinc/51/02/47/384510247.db2.gz ROPGTZJTQAZQKZ-JTQLQIEISA-N 0 3 200.330 -0.264 40 0 BBABHN CC1(C)NC(=O)N(CN2CCNCC2)C1=O ZINC000019199934 342943364 /nfs/dbraw/zinc/94/33/64/342943364.db2.gz LJNMTXMGPGCHPD-UHFFFAOYSA-N 0 3 226.280 -0.821 40 0 BBABHN Cc1nc2c(nnn2C[C@@H]2CCC[NH2+]C2)c(=O)[n-]1 ZINC000019286472 384516096 /nfs/dbraw/zinc/51/60/96/384516096.db2.gz QQEOIFLGJODMGQ-MRVPVSSYSA-N 0 3 248.290 -0.177 40 0 BBABHN Cc1nc2c(nnn2C[C@H]2CCC[NH2+]C2)c(=O)[n-]1 ZINC000019286510 384516784 /nfs/dbraw/zinc/51/67/84/384516784.db2.gz QQEOIFLGJODMGQ-QMMMGPOBSA-N 0 3 248.290 -0.177 40 0 BBABHN COC(=O)CCN1CCN(CCO)C[C@@H]1C ZINC000019365447 342946804 /nfs/dbraw/zinc/94/68/04/342946804.db2.gz UVEJQVMATQJGOG-JTQLQIEISA-N 0 3 230.308 -0.452 40 0 BBABHN C[C@@H](N)C(=O)N1CCN(c2ncccn2)CC1 ZINC000019423114 132324886 /nfs/dbraw/zinc/32/48/86/132324886.db2.gz BNZRVIDOYMLKGW-SECBINFHSA-N 0 3 235.291 -0.528 40 0 BBABHN CNCC(=O)N1CCN(c2ncccn2)CC1 ZINC000019430989 132324931 /nfs/dbraw/zinc/32/49/31/132324931.db2.gz ATJXLMFDTNLFJO-UHFFFAOYSA-N 0 3 235.291 -0.655 40 0 BBABHN CC(=O)N1CCN(C(=O)[C@@H]2CCCCN2)CC1 ZINC000019480941 343774044 /nfs/dbraw/zinc/77/40/44/343774044.db2.gz MGFUOJIMORIPDS-NSHDSACASA-N 0 3 239.319 -0.181 40 0 BBABHN CC(=O)N1CCN(C(=O)[C@H]2CCCCN2)CC1 ZINC000019480943 343773863 /nfs/dbraw/zinc/77/38/63/343773863.db2.gz MGFUOJIMORIPDS-LLVKDONJSA-N 0 3 239.319 -0.181 40 0 BBABHN CNCC(=O)N1CCN(c2ccccn2)CC1 ZINC000019487918 132249670 /nfs/dbraw/zinc/24/96/70/132249670.db2.gz QCQHLJDPVPZRHP-UHFFFAOYSA-N 0 3 234.303 -0.050 40 0 BBABHN CN1CCN(c2nc(CN)cc(=O)[nH]2)CC1 ZINC000019590107 132326059 /nfs/dbraw/zinc/32/60/59/132326059.db2.gz LPSMAVFIHRWWHU-UHFFFAOYSA-N 0 3 223.280 -0.607 40 0 BBABHN NCC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000019676993 181350301 /nfs/dbraw/zinc/35/03/01/181350301.db2.gz QHQYPZHKWWVZMF-UHFFFAOYSA-N 0 3 211.265 -0.974 40 0 BBABHN C[C@H](N)C(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000019677106 343773826 /nfs/dbraw/zinc/77/38/26/343773826.db2.gz HJHWAXCERPMTQQ-QMMMGPOBSA-N 0 3 225.292 -0.586 40 0 BBABHN O=C(CN1CCNCC1)Nc1ccncc1 ZINC000019798393 347285862 /nfs/dbraw/zinc/28/58/62/347285862.db2.gz IMPBBXOJMXCPBK-UHFFFAOYSA-N 0 3 220.276 -0.075 40 0 BBABHN C[C@@H](O)CN1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000019864684 177255225 /nfs/dbraw/zinc/25/52/25/177255225.db2.gz GPXSTLAIBOEFST-HBNTYKKESA-N 0 3 216.325 -0.246 40 0 BBABHN Cn1cc(CNCCN2CCOCC2)cn1 ZINC000020075188 357339796 /nfs/dbraw/zinc/33/97/96/357339796.db2.gz VITVZGUSBKYVGL-UHFFFAOYSA-N 0 3 224.308 -0.158 40 0 BBABHN CN(C)C[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1N1CCCC1 ZINC000020465059 388771820 /nfs/dbraw/zinc/77/18/20/388771820.db2.gz ZGMJCSLFRXGNDQ-NOOOWODRSA-N 0 3 244.335 -0.867 40 0 biogenic,in-vitro BBABHN COC(=O)CCN1CCN(CCO)C[C@H]1C ZINC000022038866 343037567 /nfs/dbraw/zinc/03/75/67/343037567.db2.gz UVEJQVMATQJGOG-SNVBAGLBSA-N 0 3 230.308 -0.452 40 0 BBABHN CN(C)C[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1O ZINC000022115797 384734056 /nfs/dbraw/zinc/73/40/56/384734056.db2.gz BOALFOBKOFTNSP-BZNPZCIMSA-N 0 3 217.265 -0.215 40 0 BBABHN COC(=O)CC1=C([O-])NC(=NC(N)=[NH2+])SC1 ZINC000022126998 343040698 /nfs/dbraw/zinc/04/06/98/343040698.db2.gz MRPFWRYJJFEKDN-SCSAIBSYSA-N 0 3 244.276 -0.722 40 0 BBABHN COC(=O)CC1=C([O-])NC(=NC(N)=[NH2+])SC1 ZINC000022127001 343040791 /nfs/dbraw/zinc/04/07/91/343040791.db2.gz MRPFWRYJJFEKDN-BYPYZUCNSA-N 0 3 244.276 -0.722 40 0 BBABHN C[C@@H](O)CN1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000022577531 343051853 /nfs/dbraw/zinc/05/18/53/343051853.db2.gz GPXSTLAIBOEFST-GMTAPVOTSA-N 0 3 216.325 -0.246 40 0 BBABHN CC(C)[C@@H]1N[C@@H](O)[C@H](C(C)C)N[C@H]1O ZINC000022584121 188283014 /nfs/dbraw/zinc/28/30/14/188283014.db2.gz HAISJRNRDKAUQG-XKNYDFJKSA-N 0 3 202.298 -0.135 40 0 BBABHN CC(C)[C@@H]1N[C@H](O)[C@H](C(C)C)N[C@@H]1O ZINC000022584125 384765007 /nfs/dbraw/zinc/76/50/07/384765007.db2.gz HAISJRNRDKAUQG-AXTSPUMRSA-N 0 3 202.298 -0.135 40 0 BBABHN C[C@H](NCCN(C)C)C(=O)NC[C@@H]1CCCO1 ZINC000022586176 384468856 /nfs/dbraw/zinc/46/88/56/384468856.db2.gz HLVMXTGHDWAPDL-QWRGUYRKSA-N 0 3 243.351 -0.179 40 0 BBABHN C[C@@H](NCCN(C)C)C(=O)NC[C@@H]1CCCO1 ZINC000022586180 384467561 /nfs/dbraw/zinc/46/75/61/384467561.db2.gz HLVMXTGHDWAPDL-MNOVXSKESA-N 0 3 243.351 -0.179 40 0 BBABHN C[C@H](NCCN(C)C)C(=O)NC[C@H]1CCCO1 ZINC000022586184 384466648 /nfs/dbraw/zinc/46/66/48/384466648.db2.gz HLVMXTGHDWAPDL-WDEREUQCSA-N 0 3 243.351 -0.179 40 0 BBABHN C[C@@H](NCCN(C)C)C(=O)NC[C@H]1CCCO1 ZINC000022586187 384468551 /nfs/dbraw/zinc/46/85/51/384468551.db2.gz HLVMXTGHDWAPDL-GHMZBOCLSA-N 0 3 243.351 -0.179 40 0 BBABHN NC(=O)[C@H]1CN(Cc2ccccc2)CCN1 ZINC000022873212 181283546 /nfs/dbraw/zinc/28/35/46/181283546.db2.gz WGIWJDQRXFTODM-LLVKDONJSA-N 0 3 219.288 -0.054 40 0 BBABHN NC(=O)[C@@H]1CN(Cc2ccccc2)CCN1 ZINC000022873227 181272267 /nfs/dbraw/zinc/27/22/67/181272267.db2.gz WGIWJDQRXFTODM-NSHDSACASA-N 0 3 219.288 -0.054 40 0 BBABHN CC(C)[C@@H]1N[C@@H](O)[C@H](C(C)C)N[C@@H]1O ZINC000022937024 384780352 /nfs/dbraw/zinc/78/03/52/384780352.db2.gz HAISJRNRDKAUQG-AATLWQCWSA-N 0 3 202.298 -0.135 40 0 BBABHN O=C(CN1CCNCC1)NCc1ccco1 ZINC000023292090 343063120 /nfs/dbraw/zinc/06/31/20/343063120.db2.gz SASDTLQZONCWBJ-UHFFFAOYSA-N 0 3 223.276 -0.199 40 0 BBABHN CC(C)(C)OC(=O)NCCNC(=O)CN ZINC000032501149 384997417 /nfs/dbraw/zinc/99/74/17/384997417.db2.gz JTXNBJZNGMAVNX-UHFFFAOYSA-N 0 3 217.269 -0.414 40 0 BBABHN CCOC(=O)CCN[C@@H]1CCS(=O)(=O)C1 ZINC000032501431 170210287 /nfs/dbraw/zinc/21/02/87/170210287.db2.gz HFMMPIPOHYXYOC-MRVPVSSYSA-N 0 3 235.305 -0.284 40 0 BBABHN CCOC(=O)CCN[C@H]1CCS(=O)(=O)C1 ZINC000032501432 170210169 /nfs/dbraw/zinc/21/01/69/170210169.db2.gz HFMMPIPOHYXYOC-QMMMGPOBSA-N 0 3 235.305 -0.284 40 0 BBABHN COC(=O)[C@@H]1CC[C@@H]2CC[C@H](N)C(=O)N21 ZINC000034145937 343265667 /nfs/dbraw/zinc/26/56/67/343265667.db2.gz LQPVJGKIEKYNEQ-FXQIFTODSA-N 0 3 212.249 -0.360 40 0 BBABHN COC(=O)[C@@H](NC(=O)[C@@H](C)N)C(C)C ZINC000034302544 343268002 /nfs/dbraw/zinc/26/80/02/343268002.db2.gz HFERNNXIGSVLPO-RQJHMYQMSA-N 0 3 202.254 -0.353 40 0 BBABHN CC(C)(C)OC(=O)CC[C@@H](N)C(N)=O ZINC000034770370 188272176 /nfs/dbraw/zinc/27/21/76/188272176.db2.gz BRWIPGSUTYVUBF-ZCFIWIBFSA-N 0 3 202.254 -0.079 40 0 BBABHN CC(C)NC(=O)C(=O)N1CCCNCC1 ZINC000034963033 167037951 /nfs/dbraw/zinc/03/79/51/167037951.db2.gz HUCAGNKSKOSRNI-UHFFFAOYSA-N 0 3 213.281 -0.667 40 0 BBABHN COCCNC1CCS(=O)(=O)CC1 ZINC000035652076 174330433 /nfs/dbraw/zinc/33/04/33/174330433.db2.gz ZXTKMJZRRFIATH-UHFFFAOYSA-N 0 3 207.295 -0.200 40 0 BBABHN Cn1cc([C@H](N)CN2CCOCC2)cn1 ZINC000035655481 343301314 /nfs/dbraw/zinc/30/13/14/343301314.db2.gz FXYVEESSKDBXHO-SNVBAGLBSA-N 0 3 210.281 -0.248 40 0 BBABHN Cn1cc([C@@H](N)CN2CCOCC2)cn1 ZINC000035655482 343301219 /nfs/dbraw/zinc/30/12/19/343301219.db2.gz FXYVEESSKDBXHO-JTQLQIEISA-N 0 3 210.281 -0.248 40 0 BBABHN NCc1ccnc(N2CCS(=O)(=O)CC2)c1 ZINC000036159482 132340276 /nfs/dbraw/zinc/34/02/76/132340276.db2.gz QGJXQKITTQNOCI-UHFFFAOYSA-N 0 3 241.316 -0.225 40 0 BBABHN Cn1nccc1CNCCN1CCOCC1 ZINC000036901126 383917119 /nfs/dbraw/zinc/91/71/19/383917119.db2.gz TXDRKXXCPBJSBT-UHFFFAOYSA-N 0 3 224.308 -0.158 40 0 BBABHN O=C(NC1CC1)C(=O)N1CCCNCC1 ZINC000036904426 182095161 /nfs/dbraw/zinc/09/51/61/182095161.db2.gz CDNNUMLSTRLPNG-UHFFFAOYSA-N 0 3 211.265 -0.913 40 0 BBABHN CCN1CCN(C(=O)CNC2CC2)CC1 ZINC000037476905 348616547 /nfs/dbraw/zinc/61/65/47/348616547.db2.gz KTLYUNRGNXDXOQ-UHFFFAOYSA-N 0 3 211.309 -0.098 40 0 BBABHN C[C@H](N)C(=O)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000037799534 343783460 /nfs/dbraw/zinc/78/34/60/343783460.db2.gz OFQKNHKEFMPJOE-QWRGUYRKSA-N 0 3 241.335 -0.343 40 0 BBABHN C[C@@H](N)C(=O)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000037799535 343783495 /nfs/dbraw/zinc/78/34/95/343783495.db2.gz OFQKNHKEFMPJOE-MNOVXSKESA-N 0 3 241.335 -0.343 40 0 BBABHN C[C@H](N)C(=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC000037799536 343783083 /nfs/dbraw/zinc/78/30/83/343783083.db2.gz OFQKNHKEFMPJOE-WDEREUQCSA-N 0 3 241.335 -0.343 40 0 BBABHN C[C@@H](N)C(=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC000037799537 343783118 /nfs/dbraw/zinc/78/31/18/343783118.db2.gz OFQKNHKEFMPJOE-GHMZBOCLSA-N 0 3 241.335 -0.343 40 0 BBABHN C[C@@H](N)C(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000037805236 343783263 /nfs/dbraw/zinc/78/32/63/343783263.db2.gz HJHWAXCERPMTQQ-MRVPVSSYSA-N 0 3 225.292 -0.586 40 0 BBABHN CNCC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000037805243 173326706 /nfs/dbraw/zinc/32/67/06/173326706.db2.gz HKLYUXCTMPFPTC-UHFFFAOYSA-N 0 3 225.292 -0.713 40 0 BBABHN CC(=O)N[C@H]1CCCN(C(=O)[C@H](C)N)C1 ZINC000037815226 343315219 /nfs/dbraw/zinc/31/52/19/343315219.db2.gz SFGZTALXYLAASB-CBAPKCEASA-N 0 3 213.281 -0.539 40 0 BBABHN CC(=O)N[C@@H]1CCCN(C(=O)[C@H](C)N)C1 ZINC000037815228 343315110 /nfs/dbraw/zinc/31/51/10/343315110.db2.gz SFGZTALXYLAASB-IONNQARKSA-N 0 3 213.281 -0.539 40 0 BBABHN CCOC(=O)N1CCN(C(=O)CNC)CC1 ZINC000037976114 170239382 /nfs/dbraw/zinc/23/93/82/170239382.db2.gz HXUGNWNPUFGLOO-UHFFFAOYSA-N 0 3 229.280 -0.494 40 0 BBABHN CCOC(=O)N1CCN(C(=O)[C@@H](C)N)CC1 ZINC000037980617 170239768 /nfs/dbraw/zinc/23/97/68/170239768.db2.gz WRBVCOALAPDOKX-MRVPVSSYSA-N 0 3 229.280 -0.366 40 0 BBABHN Cc1nnc2sc(NC(=N)N)nn2c1=O ZINC000038700820 384093738 /nfs/dbraw/zinc/09/37/38/384093738.db2.gz FPUPWUDKJBBDDP-UHFFFAOYSA-N 0 3 225.237 -0.840 40 0 BBABHN CN1CCN(c2cncc(NN)n2)CC1 ZINC000039957377 523927284 /nfs/dbraw/zinc/92/72/84/523927284.db2.gz CTEKNOCBIWMBKR-UHFFFAOYSA-N 0 3 208.269 -0.486 40 0 BBABHN NCC(=O)NC[C@H]1COc2ccccc2O1 ZINC000040430779 181353087 /nfs/dbraw/zinc/35/30/87/181353087.db2.gz TZUSJQLEXLBPJC-QMMMGPOBSA-N 0 3 222.244 -0.099 40 0 BBABHN NCC(=O)NC[C@@H]1COc2ccccc2O1 ZINC000040430781 181352863 /nfs/dbraw/zinc/35/28/63/181352863.db2.gz TZUSJQLEXLBPJC-MRVPVSSYSA-N 0 3 222.244 -0.099 40 0 BBABHN CC[C@H](C)[C@H](N)C(=O)N[C@H](C)C(N)=O ZINC000040460209 136270981 /nfs/dbraw/zinc/27/09/81/136270981.db2.gz HIXZNVCQXQTOSJ-XVMARJQXSA-N 0 3 201.270 -0.650 40 0 BBABHN Cn1ncc2ncnc(N3CCNCC3)c21 ZINC000040542543 358670510 /nfs/dbraw/zinc/67/05/10/358670510.db2.gz QWCWMIXGRRPXCR-UHFFFAOYSA-N 0 3 218.264 -0.227 40 0 BBABHN CN1CCN(CCN2CCN(C)CC2)CC1 ZINC000041247433 173081378 /nfs/dbraw/zinc/08/13/78/173081378.db2.gz SURKZLRVHBVHAC-UHFFFAOYSA-N 0 3 226.368 -0.519 40 0 BBABHN NCc1cc2c(nc1N1CCNC(=O)C1)CCC2 ZINC000043405041 384186139 /nfs/dbraw/zinc/18/61/39/384186139.db2.gz LUXWJCMFJGQHBV-UHFFFAOYSA-N 0 3 246.314 -0.035 40 0 BBABHN CN(C)CCOC(=O)[C@@H]1CCC(=O)N1 ZINC000044708659 343512282 /nfs/dbraw/zinc/51/22/82/343512282.db2.gz VXLWESKPIFFDJU-ZETCQYMHSA-N 0 3 200.238 -0.630 40 0 BBABHN CN1CCC2(CC1)[N-]C(=S)[NH+]=C(N)N2 ZINC000049474148 173003650 /nfs/dbraw/zinc/00/36/50/173003650.db2.gz YLXPYPOSCAHTFN-UHFFFAOYSA-N 0 3 213.310 -0.388 40 0 BBABHN CCCN1CCC2(CC1)N=NC(N)NN2 ZINC000049474172 169191582 /nfs/dbraw/zinc/19/15/82/169191582.db2.gz CFTXTAHEOCWCOK-UHFFFAOYSA-N 0 3 212.301 -0.884 40 0 BBABHN COC(=O)C1=C[C@@H]2CN(C)CC[C@H]2NC1=O ZINC000049474230 343599716 /nfs/dbraw/zinc/59/97/16/343599716.db2.gz JNKKUQKRQMBHEW-VXNVDRBHSA-N 0 3 224.260 -0.464 40 0 BBABHN COC(=O)C1=C[C@@H]2CN(C)CC[C@@H]2NC1=O ZINC000049474231 343599389 /nfs/dbraw/zinc/59/93/89/343599389.db2.gz JNKKUQKRQMBHEW-APPZFPTMSA-N 0 3 224.260 -0.464 40 0 BBABHN CCN1CC[C@H]2NC(=O)C(C(=O)OC)=C[C@@H]2C1 ZINC000049474232 170023388 /nfs/dbraw/zinc/02/33/88/170023388.db2.gz VQQNLUPBOMCKGQ-PSASIEDQSA-N 0 3 238.287 -0.074 40 0 BBABHN CCN1CC[C@@H]2NC(=O)C(C(=O)OC)=C[C@@H]2C1 ZINC000049474233 170013706 /nfs/dbraw/zinc/01/37/06/170013706.db2.gz VQQNLUPBOMCKGQ-SCZZXKLOSA-N 0 3 238.287 -0.074 40 0 BBABHN CCCCNC(=O)Cn1cc(CN)nn1 ZINC000050224532 343782905 /nfs/dbraw/zinc/78/29/05/343782905.db2.gz FFHBYGYRJMBDAJ-UHFFFAOYSA-N 0 3 211.269 -0.347 40 0 BBABHN CC1CCN(C(=O)Cn2cc(CN)nn2)CC1 ZINC000050224779 168172923 /nfs/dbraw/zinc/17/29/23/168172923.db2.gz WXJLLAUJYRISMK-UHFFFAOYSA-N 0 3 237.307 -0.005 40 0 BBABHN CC(C)CCNC(=O)Cn1cc(CN)nn1 ZINC000050224792 343782786 /nfs/dbraw/zinc/78/27/86/343782786.db2.gz QBLRBJWUNJGGBT-UHFFFAOYSA-N 0 3 225.296 -0.101 40 0 BBABHN Cc1cc(NC(=O)Cn2cc(CN)nn2)no1 ZINC000050224797 343782666 /nfs/dbraw/zinc/78/26/66/343782666.db2.gz UGINVTHKWDNPHF-UHFFFAOYSA-N 0 3 236.235 -0.328 40 0 BBABHN NCc1cn(CC(=O)NC[C@@H]2CCCO2)nn1 ZINC000050224815 343782516 /nfs/dbraw/zinc/78/25/16/343782516.db2.gz CBLPGJPWXSEUGQ-VIFPVBQESA-N 0 3 239.279 -0.968 40 0 BBABHN NCc1cn(CC(=O)NC[C@H]2CCCO2)nn1 ZINC000050224816 343782918 /nfs/dbraw/zinc/78/29/18/343782918.db2.gz CBLPGJPWXSEUGQ-SECBINFHSA-N 0 3 239.279 -0.968 40 0 BBABHN NCc1cn(CC(=O)NCc2ccco2)nn1 ZINC000050224859 343782559 /nfs/dbraw/zinc/78/25/59/343782559.db2.gz ZCZLNVAFYIRHHA-UHFFFAOYSA-N 0 3 235.247 -0.354 40 0 BBABHN NCc1cn(CC(=O)Nc2nccs2)nn1 ZINC000050224888 343782851 /nfs/dbraw/zinc/78/28/51/343782851.db2.gz CGSZMBIYFQMCQM-UHFFFAOYSA-N 0 3 238.276 -0.168 40 0 BBABHN NCc1cc(N2CCS(=O)(=O)CC2)ccn1 ZINC000051397001 132360509 /nfs/dbraw/zinc/36/05/09/132360509.db2.gz RWPUKGLRLPKTQO-UHFFFAOYSA-N 0 3 241.316 -0.225 40 0 BBABHN O=C(CN1CC[C@H](CO)C1)N1CCCC1 ZINC000051887048 346193250 /nfs/dbraw/zinc/19/32/50/346193250.db2.gz RGJQMWPZXNUXGE-JTQLQIEISA-N 0 3 212.293 -0.077 40 0 BBABHN O=C(CN1CC[C@@H](CO)C1)N1CCCC1 ZINC000051887049 346193173 /nfs/dbraw/zinc/19/31/73/346193173.db2.gz RGJQMWPZXNUXGE-SNVBAGLBSA-N 0 3 212.293 -0.077 40 0 BBABHN Cn1cnc(S(=O)(=O)N2CCCNCC2)c1 ZINC000052095777 385320397 /nfs/dbraw/zinc/32/03/97/385320397.db2.gz MSKJHGKFTQMODC-UHFFFAOYSA-N 0 3 244.320 -0.596 40 0 BBABHN Cn1cnc(S(=O)(=O)[N-]C2CC[NH2+]CC2)c1 ZINC000052095994 388682367 /nfs/dbraw/zinc/68/23/67/388682367.db2.gz KEFTZUJGUMUCAN-UHFFFAOYSA-N 0 3 244.320 -0.550 40 0 BBABHN CCc1cc(=O)[n-]c(N2CC[C@H]([NH3+])C2)n1 ZINC000057329470 388619948 /nfs/dbraw/zinc/61/99/48/388619948.db2.gz AOOMLLPGJOCPAW-ZETCQYMHSA-N 0 3 208.265 -0.130 40 0 BBABHN CCc1cc(=O)[n-]c(N2CC[C@@H]([NH3+])C2)n1 ZINC000057329473 171748536 /nfs/dbraw/zinc/74/85/36/171748536.db2.gz AOOMLLPGJOCPAW-SSDOTTSWSA-N 0 3 208.265 -0.130 40 0 BBABHN COCc1cc(=O)[n-]c(N2CCC([NH3+])CC2)n1 ZINC000057329791 132301010 /nfs/dbraw/zinc/30/10/10/132301010.db2.gz LGQIKKFSXWGOAN-UHFFFAOYSA-N 0 3 238.291 -0.156 40 0 BBABHN COCCNc1cc(N2CCNCC2)ncn1 ZINC000057330537 536895012 /nfs/dbraw/zinc/89/50/12/536895012.db2.gz XZEADORFTDOSLK-UHFFFAOYSA-N 0 3 237.307 -0.056 40 0 BBABHN CN1CCN(C(=O)CN2CCCC2)CC1 ZINC000060512660 350501015 /nfs/dbraw/zinc/50/10/15/350501015.db2.gz JWCSXEPDIVOSFO-UHFFFAOYSA-N 0 3 211.309 -0.144 40 0 BBABHN CCn1ccnc(N2CCNCC2)c1=O ZINC000061752696 344373005 /nfs/dbraw/zinc/37/30/05/344373005.db2.gz RLXLHHALZJQYSJ-UHFFFAOYSA-N 0 3 208.265 -0.327 40 0 BBABHN Cn1cc(Cl)nc(N2CCNCC2)c1=O ZINC000062714157 388655164 /nfs/dbraw/zinc/65/51/64/388655164.db2.gz XBTZLEMAFPVLTJ-UHFFFAOYSA-N 0 3 228.683 -0.157 40 0 BBABHN Nc1ncc(CNCCOCCO)cn1 ZINC000062717396 259407515 /nfs/dbraw/zinc/40/75/15/259407515.db2.gz FZHWXXMQVWOMFK-UHFFFAOYSA-N 0 3 212.253 -0.843 40 0 BBABHN CNc1ncc(CNCCOCCO)cn1 ZINC000062717476 398054865 /nfs/dbraw/zinc/05/48/65/398054865.db2.gz UYAXKDNJBFUKFR-UHFFFAOYSA-N 0 3 226.280 -0.383 40 0 BBABHN OCCNCc1cnc(N2CCOCC2)nc1 ZINC000062717745 388655808 /nfs/dbraw/zinc/65/58/08/388655808.db2.gz BNXULXCZSVAJQQ-UHFFFAOYSA-N 0 3 238.291 -0.605 40 0 BBABHN Nc1ncc(CNCCN2CCOCC2)cn1 ZINC000062718374 388656227 /nfs/dbraw/zinc/65/62/27/388656227.db2.gz FFIWXJKIVYLCMT-UHFFFAOYSA-N 0 3 237.307 -0.519 40 0 BBABHN CSCC[C@@H](N)C(=O)N1CCOCC1 ZINC000062725406 388656616 /nfs/dbraw/zinc/65/66/16/388656616.db2.gz AQZUBPSZTAQTFB-MRVPVSSYSA-N 0 3 218.322 -0.074 40 0 BBABHN COCCNC(=O)[C@H](N)CCSC ZINC000062725408 174327504 /nfs/dbraw/zinc/32/75/04/174327504.db2.gz BDRIAZJKJFDZEB-SSDOTTSWSA-N 0 3 206.311 -0.171 40 0 BBABHN CSCC[C@@H](N)C(=O)N1CCN(C)CC1 ZINC000062725419 388655617 /nfs/dbraw/zinc/65/56/17/388655617.db2.gz YRWRWSRUJFGGSS-SECBINFHSA-N 0 3 231.365 -0.159 40 0 BBABHN NCc1cnn(CC(=O)N2CCCC2)c1 ZINC000063169602 181494630 /nfs/dbraw/zinc/49/46/30/181494630.db2.gz FJFKFIBHDYBFKA-UHFFFAOYSA-N 0 3 208.265 -0.036 40 0 BBABHN COCCn1nc2c(cc1=O)CNCC2 ZINC000063169772 386541234 /nfs/dbraw/zinc/54/12/34/386541234.db2.gz MQSFEMYQUQPEGN-UHFFFAOYSA-N 0 3 209.249 -0.465 40 0 BBABHN CC(C)[C@H](C(=O)[C@@H](C)N)[C@H]([NH3+])C(=O)[O-] ZINC000064219359 385245548 /nfs/dbraw/zinc/24/55/48/385245548.db2.gz JPNVOPOXEZGPIM-VQVTYTSYSA-N 0 3 202.254 -0.413 40 0 BBABHN CC(C)[C@@H](C(=O)[C@@H](C)N)[C@H]([NH3+])C(=O)[O-] ZINC000064219360 167346219 /nfs/dbraw/zinc/34/62/19/167346219.db2.gz JPNVOPOXEZGPIM-QYNIQEEDSA-N 0 3 202.254 -0.413 40 0 BBABHN C[C@H](NC1CC1)C(=O)N1CCN(C)CC1 ZINC000064875578 370376250 /nfs/dbraw/zinc/37/62/50/370376250.db2.gz IHXKJPWXAGSROU-VIFPVBQESA-N 0 3 211.309 -0.099 40 0 BBABHN C[C@@H](NC1CC1)C(=O)N1CCN(C)CC1 ZINC000064875580 370376512 /nfs/dbraw/zinc/37/65/12/370376512.db2.gz IHXKJPWXAGSROU-SECBINFHSA-N 0 3 211.309 -0.099 40 0 BBABHN COCCNC(=O)[C@H](N)Cc1cnc[nH]1 ZINC000064875601 174327810 /nfs/dbraw/zinc/32/78/10/174327810.db2.gz DQUKGIGEMKLTSM-MRVPVSSYSA-N 0 3 212.253 -0.958 40 0 BBABHN COCCNC(=O)[C@H](N)Cc1c[nH]cn1 ZINC000064875601 174327808 /nfs/dbraw/zinc/32/78/08/174327808.db2.gz DQUKGIGEMKLTSM-MRVPVSSYSA-N 0 3 212.253 -0.958 40 0 BBABHN COCCNC(=O)[C@@H](N)Cc1cnc[nH]1 ZINC000064875602 174325580 /nfs/dbraw/zinc/32/55/80/174325580.db2.gz DQUKGIGEMKLTSM-QMMMGPOBSA-N 0 3 212.253 -0.958 40 0 BBABHN COCCNC(=O)[C@@H](N)Cc1c[nH]cn1 ZINC000064875602 174325579 /nfs/dbraw/zinc/32/55/79/174325579.db2.gz DQUKGIGEMKLTSM-QMMMGPOBSA-N 0 3 212.253 -0.958 40 0 BBABHN CN1C(=O)CO[C@H]2CN(CC3CC3)C[C@H]21 ZINC000067897265 388408534 /nfs/dbraw/zinc/40/85/34/388408534.db2.gz DEGFSKBFNNCCTO-ZJUUUORDSA-N 0 3 210.277 -0.062 40 0 biogenic,in-vitro BBABHN CN(C)c1nccc(N2CCNCC2)n1 ZINC000068576424 132390523 /nfs/dbraw/zinc/39/05/23/132390523.db2.gz QSERFXPZIOTLLW-UHFFFAOYSA-N 0 3 207.281 -0.048 40 0 BBABHN OCCN1CCN(C2CCOCC2)CC1 ZINC000068958065 345779143 /nfs/dbraw/zinc/77/91/43/345779143.db2.gz QWHHWNFHXRRBFR-UHFFFAOYSA-N 0 3 214.309 -0.225 40 0 BBABHN O=S(=O)(c1c[nH]cn1)N1CCCNCC1 ZINC000069947603 388727394 /nfs/dbraw/zinc/72/73/94/388727394.db2.gz MQXBGTHVPIXSOQ-UHFFFAOYSA-N 0 3 230.293 -0.606 40 0 BBABHN O=S(=O)([N-]C1CC[NH2+]CC1)c1c[nH]cn1 ZINC000069947717 384071169 /nfs/dbraw/zinc/07/11/69/384071169.db2.gz YNFATFVQVASNDN-UHFFFAOYSA-N 0 3 230.293 -0.560 40 0 BBABHN CCNC(=O)[C@@H](C)N1CCC[C@H](N)C1=O ZINC000070062094 384221006 /nfs/dbraw/zinc/22/10/06/384221006.db2.gz GHBNSUFEBYAYIH-SFYZADRCSA-N 0 3 213.281 -0.539 40 0 BBABHN CCNC(=O)[C@H](C)N1CCC[C@H](N)C1=O ZINC000070062095 384219079 /nfs/dbraw/zinc/21/90/79/384219079.db2.gz GHBNSUFEBYAYIH-YUMQZZPRSA-N 0 3 213.281 -0.539 40 0 BBABHN CCNC(=O)[C@@H](C)N1CCC[C@@H](N)C1=O ZINC000070062096 384220819 /nfs/dbraw/zinc/22/08/19/384220819.db2.gz GHBNSUFEBYAYIH-HTQZYQBOSA-N 0 3 213.281 -0.539 40 0 BBABHN CCNC(=O)[C@H](C)N1CCC[C@@H](N)C1=O ZINC000070062097 384219803 /nfs/dbraw/zinc/21/98/03/384219803.db2.gz GHBNSUFEBYAYIH-JGVFFNPUSA-N 0 3 213.281 -0.539 40 0 BBABHN C[C@@H](C(=O)N(C)C)N1CCC[C@H](N)C1=O ZINC000070062102 259313073 /nfs/dbraw/zinc/31/30/73/259313073.db2.gz REITWCYFSGMTIN-YUMQZZPRSA-N 0 3 213.281 -0.587 40 0 BBABHN C[C@H](C(=O)N(C)C)N1CCC[C@H](N)C1=O ZINC000070062103 259313141 /nfs/dbraw/zinc/31/31/41/259313141.db2.gz REITWCYFSGMTIN-SFYZADRCSA-N 0 3 213.281 -0.587 40 0 BBABHN C[C@@H](C(=O)N(C)C)N1CCC[C@@H](N)C1=O ZINC000070062104 259312992 /nfs/dbraw/zinc/31/29/92/259312992.db2.gz REITWCYFSGMTIN-JGVFFNPUSA-N 0 3 213.281 -0.587 40 0 BBABHN C[C@H](C(=O)N(C)C)N1CCC[C@@H](N)C1=O ZINC000070062105 259312888 /nfs/dbraw/zinc/31/28/88/259312888.db2.gz REITWCYFSGMTIN-HTQZYQBOSA-N 0 3 213.281 -0.587 40 0 BBABHN CCCNC(=O)CN1CCC[C@H](N)C1=O ZINC000070062322 259312961 /nfs/dbraw/zinc/31/29/61/259312961.db2.gz CAAOPRQSOHPGPJ-QMMMGPOBSA-N 0 3 213.281 -0.538 40 0 BBABHN CCCNC(=O)CN1CCC[C@@H](N)C1=O ZINC000070062323 259313055 /nfs/dbraw/zinc/31/30/55/259313055.db2.gz CAAOPRQSOHPGPJ-MRVPVSSYSA-N 0 3 213.281 -0.538 40 0 BBABHN N[C@H]1CCCN(CC(=O)NC2CC2)C1=O ZINC000070062326 259313149 /nfs/dbraw/zinc/31/31/49/259313149.db2.gz ZRCRHJBILGRUOA-QMMMGPOBSA-N 0 3 211.265 -0.785 40 0 BBABHN N[C@@H]1CCCN(CC(=O)NC2CC2)C1=O ZINC000070062327 259312842 /nfs/dbraw/zinc/31/28/42/259312842.db2.gz ZRCRHJBILGRUOA-MRVPVSSYSA-N 0 3 211.265 -0.785 40 0 BBABHN NCc1ccc(S(=O)(=O)N2CCC2)nc1 ZINC000070453873 259314209 /nfs/dbraw/zinc/31/42/09/259314209.db2.gz GEABXCWRYJLFPU-UHFFFAOYSA-N 0 3 227.289 -0.065 40 0 BBABHN CNS(=O)(=O)c1ccc(CN)cn1 ZINC000070453874 259314161 /nfs/dbraw/zinc/31/41/61/259314161.db2.gz UMPBEVIFLZMPRU-UHFFFAOYSA-N 0 3 201.251 -0.552 40 0 BBABHN CN(C)S(=O)(=O)c1ccc(CN)cn1 ZINC000070453875 384108240 /nfs/dbraw/zinc/10/82/40/384108240.db2.gz NDAFBPAQUDUOIN-UHFFFAOYSA-N 0 3 215.278 -0.209 40 0 BBABHN Cc1nn(C)c(N2CCNCC2)c1C=O ZINC000070609484 259365978 /nfs/dbraw/zinc/36/59/78/259365978.db2.gz WPZUHKMTJGCHQJ-UHFFFAOYSA-N 0 3 208.265 -0.049 40 0 BBABHN c1nnc2c(N3CCNCC3)nccn12 ZINC000070616379 132231324 /nfs/dbraw/zinc/23/13/24/132231324.db2.gz PZVVYIBOFVAFOK-UHFFFAOYSA-N 0 3 204.237 -0.466 40 0 BBABHN CN1CCC(NC(=O)c2cc(N)n[nH]2)CC1 ZINC000070646908 384127759 /nfs/dbraw/zinc/12/77/59/384127759.db2.gz QXUQBIUVSKRUBY-UHFFFAOYSA-N 0 3 223.280 -0.184 40 0 BBABHN CN(C)C(=O)c1nn(C)c2c1CNCC2 ZINC000072209778 172392949 /nfs/dbraw/zinc/39/29/49/172392949.db2.gz NFVKKEKAIWNTJL-UHFFFAOYSA-N 0 3 208.265 -0.232 40 0 BBABHN NCC(=O)NCc1nc(-c2cccnc2)no1 ZINC000072220473 259319601 /nfs/dbraw/zinc/31/96/01/259319601.db2.gz FKBOGMUDFRSGQX-UHFFFAOYSA-N 0 3 233.231 -0.294 40 0 BBABHN NCC(=O)NCc1nc(-c2ccncc2)no1 ZINC000072220474 259319434 /nfs/dbraw/zinc/31/94/34/259319434.db2.gz CTIBDSRWHRBGTR-UHFFFAOYSA-N 0 3 233.231 -0.294 40 0 BBABHN CN[C@@H]1CCCN(c2cn(C)nn2)C1=O ZINC000072221035 259319686 /nfs/dbraw/zinc/31/96/86/259319686.db2.gz AJLNZTNRAOYTFE-SSDOTTSWSA-N 0 3 209.253 -0.470 40 0 BBABHN CN[C@H]1CCCN(c2cn(C)nn2)C1=O ZINC000072221036 259319619 /nfs/dbraw/zinc/31/96/19/259319619.db2.gz AJLNZTNRAOYTFE-ZETCQYMHSA-N 0 3 209.253 -0.470 40 0 BBABHN COC[C@@H]1CNCCN(S(C)(=O)=O)C1 ZINC000072343645 384208266 /nfs/dbraw/zinc/20/82/66/384208266.db2.gz HBOZYRZAEJQXQL-MRVPVSSYSA-N 0 3 222.310 -0.886 40 0 BBABHN COC[C@H]1CNCCN(S(C)(=O)=O)C1 ZINC000072343646 384208878 /nfs/dbraw/zinc/20/88/78/384208878.db2.gz HBOZYRZAEJQXQL-QMMMGPOBSA-N 0 3 222.310 -0.886 40 0 BBABHN CNC(=O)CNC(=O)[C@@]1(C)CCCCN1 ZINC000072345761 173276081 /nfs/dbraw/zinc/27/60/81/173276081.db2.gz RCEVNPHMZXUQIJ-SNVBAGLBSA-N 0 3 213.281 -0.619 40 0 BBABHN CNC(=O)CNC(=O)[C@]1(C)CCCCN1 ZINC000072345762 173276537 /nfs/dbraw/zinc/27/65/37/173276537.db2.gz RCEVNPHMZXUQIJ-JTQLQIEISA-N 0 3 213.281 -0.619 40 0 BBABHN Nc1nccc([C@@H]2CCN(CCO)C2)n1 ZINC000072356894 384210210 /nfs/dbraw/zinc/21/02/10/384210210.db2.gz ZEVDLWSSJHURTK-MRVPVSSYSA-N 0 3 208.265 -0.160 40 0 BBABHN Nc1nccc([C@H]2CCN(CCO)C2)n1 ZINC000072356895 384210089 /nfs/dbraw/zinc/21/00/89/384210089.db2.gz ZEVDLWSSJHURTK-QMMMGPOBSA-N 0 3 208.265 -0.160 40 0 BBABHN C[C@]1(C(N)=O)CN(CC2CCOCC2)CCO1 ZINC000072379823 384216112 /nfs/dbraw/zinc/21/61/12/384216112.db2.gz ZDOZOEQNGTXVHE-GFCCVEGCSA-N 0 3 242.319 -0.011 40 0 BBABHN C[C@@]1(C(N)=O)CN(CC2CCOCC2)CCO1 ZINC000072379824 384216276 /nfs/dbraw/zinc/21/62/76/384216276.db2.gz ZDOZOEQNGTXVHE-LBPRGKRZSA-N 0 3 242.319 -0.011 40 0 BBABHN Cc1nc(N)cc([C@@H]2CCN2C(=O)CN)n1 ZINC000072387429 384277403 /nfs/dbraw/zinc/27/74/03/384277403.db2.gz XQNJUZQMGUQBTC-QMMMGPOBSA-N 0 3 221.264 -0.401 40 0 BBABHN Cc1nc(N)cc([C@H]2CCN2C(=O)CN)n1 ZINC000072387430 179999440 /nfs/dbraw/zinc/99/94/40/179999440.db2.gz XQNJUZQMGUQBTC-MRVPVSSYSA-N 0 3 221.264 -0.401 40 0 BBABHN O=c1[n-]nc(-c2cn(C3CC[NH2+]CC3)nn2)o1 ZINC000072397747 183308848 /nfs/dbraw/zinc/30/88/48/183308848.db2.gz VLJIPJTVDHSEHE-UHFFFAOYSA-N 0 3 236.235 -0.042 40 0 BBABHN Cc1nc2c(nnn2C[C@H]2CCC[NH2+]2)c(=O)[n-]1 ZINC000072398208 188131683 /nfs/dbraw/zinc/13/16/83/188131683.db2.gz OJEPFBCDYNHPQU-SSDOTTSWSA-N 0 3 234.263 -0.013 40 0 BBABHN CC(=O)NC[C@H]1OC[C@@H](NC(C)C)[C@@H]1O ZINC000077263768 387450874 /nfs/dbraw/zinc/45/08/74/387450874.db2.gz FCBJKVAWIOWVME-BBBLOLIVSA-N 0 3 216.281 -0.751 40 0 biogenic,in-vitro BBABHN CN(C)[C@@H]1CO[C@H](CNC(=O)C2CC2)[C@H]1O ZINC000077263930 387451449 /nfs/dbraw/zinc/45/14/49/387451449.db2.gz OHFWNCJCJVITLU-BBBLOLIVSA-N 0 3 228.292 -0.798 40 0 biogenic,in-vitro BBABHN CC(C)N[C@@H]1CO[C@H](CNC(=O)C2CC2)[C@H]1O ZINC000077263933 387451460 /nfs/dbraw/zinc/45/14/60/387451460.db2.gz OPIOSYWJHAVCBN-MXWKQRLJSA-N 0 3 242.319 -0.361 40 0 biogenic,in-vitro BBABHN CC(C)NC(=O)NC[C@H]1OC[C@@H](N(C)C)[C@@H]1O ZINC000077264833 167073389 /nfs/dbraw/zinc/07/33/89/167073389.db2.gz STMMDDMZSVEHLW-BBBLOLIVSA-N 0 3 245.323 -0.616 40 0 biogenic,in-vitro BBABHN CC(C)(C)OC(=O)NC[C@H]1OC[C@@H](N)[C@@H]1O ZINC000077265498 387450563 /nfs/dbraw/zinc/45/05/63/387450563.db2.gz OJEPPFGWDMLHFY-PRJMDXOYSA-N 0 3 232.280 -0.402 40 0 biogenic,in-vitro BBABHN O=C1NC[C@H]2CN(C3CCOCC3)CCN12 ZINC000077266439 387450657 /nfs/dbraw/zinc/45/06/57/387450657.db2.gz KWHZIMRNHZXFSL-JTQLQIEISA-N 0 3 225.292 -0.125 40 0 biogenic,in-vitro BBABHN N[C@@H](Cc1c[nH]cn1)C(=O)NCCc1c[nH]cn1 ZINC000078685434 342858918 /nfs/dbraw/zinc/85/89/18/342858918.db2.gz OGIODKHROPYXQB-JTQLQIEISA-N 0 3 248.290 -0.639 40 0 BBABHN CC(=O)N1CCC[C@@H]1CN(C)CCO ZINC000079405257 188291984 /nfs/dbraw/zinc/29/19/84/188291984.db2.gz WSMGIBOYNMENKO-SNVBAGLBSA-N 0 3 200.282 -0.079 40 0 BBABHN CC(=O)N1CCC[C@H]1CN(C)CCO ZINC000079405266 384132726 /nfs/dbraw/zinc/13/27/26/384132726.db2.gz WSMGIBOYNMENKO-JTQLQIEISA-N 0 3 200.282 -0.079 40 0 BBABHN CC(=O)N1CCC[C@H](N(C)CCO)C1 ZINC000079405279 187263780 /nfs/dbraw/zinc/26/37/80/187263780.db2.gz KJUZTEXCPBSFLP-JTQLQIEISA-N 0 3 200.282 -0.079 40 0 BBABHN CC(=O)N1CCC[C@@H](N(C)CCO)C1 ZINC000079405283 384133112 /nfs/dbraw/zinc/13/31/12/384133112.db2.gz KJUZTEXCPBSFLP-SNVBAGLBSA-N 0 3 200.282 -0.079 40 0 BBABHN CCN(CCO)[C@@H]1CCN(C(C)=O)C1 ZINC000079405324 384132234 /nfs/dbraw/zinc/13/22/34/384132234.db2.gz LPDXXWQOJODLCO-SNVBAGLBSA-N 0 3 200.282 -0.079 40 0 BBABHN CCN(CCO)[C@H]1CCN(C(C)=O)C1 ZINC000079405327 384134222 /nfs/dbraw/zinc/13/42/22/384134222.db2.gz LPDXXWQOJODLCO-JTQLQIEISA-N 0 3 200.282 -0.079 40 0 BBABHN CC(=O)NC[C@@H]1CCCCN1CCO ZINC000079416332 384135125 /nfs/dbraw/zinc/13/51/25/384135125.db2.gz SHQXSKKYZOVGRU-JTQLQIEISA-N 0 3 200.282 -0.031 40 0 BBABHN CC(=O)NC[C@H]1CCCCN1CCO ZINC000079416334 384140246 /nfs/dbraw/zinc/14/02/46/384140246.db2.gz SHQXSKKYZOVGRU-SNVBAGLBSA-N 0 3 200.282 -0.031 40 0 BBABHN CC(=O)NC[C@@H]1CCCN(CCO)C1 ZINC000079416339 384140214 /nfs/dbraw/zinc/14/02/14/384140214.db2.gz CWLGVIFVSSMPRG-JTQLQIEISA-N 0 3 200.282 -0.173 40 0 BBABHN CC(=O)NC[C@H]1CCCN(CCO)C1 ZINC000079416343 384139193 /nfs/dbraw/zinc/13/91/93/384139193.db2.gz CWLGVIFVSSMPRG-SNVBAGLBSA-N 0 3 200.282 -0.173 40 0 BBABHN CC(=O)N(C)C[C@@H]1CCCN1CCO ZINC000079416351 187263566 /nfs/dbraw/zinc/26/35/66/187263566.db2.gz SBXJFFINGQSLJG-JTQLQIEISA-N 0 3 200.282 -0.079 40 0 BBABHN CC(=O)N(C)C[C@H]1CCCN1CCO ZINC000079416355 187263636 /nfs/dbraw/zinc/26/36/36/187263636.db2.gz SBXJFFINGQSLJG-SNVBAGLBSA-N 0 3 200.282 -0.079 40 0 BBABHN CC(=O)N(C)C[C@@H]1CCN(CCO)C1 ZINC000079416358 384139821 /nfs/dbraw/zinc/13/98/21/384139821.db2.gz XYQNJAIFQOSAEC-JTQLQIEISA-N 0 3 200.282 -0.221 40 0 BBABHN CC(=O)N(C)C[C@H]1CCN(CCO)C1 ZINC000079416362 384139062 /nfs/dbraw/zinc/13/90/62/384139062.db2.gz XYQNJAIFQOSAEC-SNVBAGLBSA-N 0 3 200.282 -0.221 40 0 BBABHN CC(=O)N(C)[C@@H]1CCCN(CCO)C1 ZINC000079416369 384496501 /nfs/dbraw/zinc/49/65/01/384496501.db2.gz WSNWDMHOCRWLEE-SNVBAGLBSA-N 0 3 200.282 -0.079 40 0 BBABHN CC(=O)N(C)[C@H]1CCCN(CCO)C1 ZINC000079416374 187263724 /nfs/dbraw/zinc/26/37/24/187263724.db2.gz WSNWDMHOCRWLEE-JTQLQIEISA-N 0 3 200.282 -0.079 40 0 BBABHN CC(=O)N(C)C1CCN(CCO)CC1 ZINC000079416376 384140461 /nfs/dbraw/zinc/14/04/61/384140461.db2.gz JIZDUKYDDMACML-UHFFFAOYSA-N 0 3 200.282 -0.079 40 0 BBABHN CCN(C(C)=O)[C@@H]1CCN(CCO)C1 ZINC000079416411 384140482 /nfs/dbraw/zinc/14/04/82/384140482.db2.gz JMAFUTPCKRRIAW-SNVBAGLBSA-N 0 3 200.282 -0.079 40 0 BBABHN CCN(C(C)=O)[C@H]1CCN(CCO)C1 ZINC000079416415 384139671 /nfs/dbraw/zinc/13/96/71/384139671.db2.gz JMAFUTPCKRRIAW-JTQLQIEISA-N 0 3 200.282 -0.079 40 0 BBABHN CC(=O)NC[C@@H]1CCCCN1C(=O)CN ZINC000079417203 188292000 /nfs/dbraw/zinc/29/20/00/188292000.db2.gz AXWGKVDWOVSLKU-VIFPVBQESA-N 0 3 213.281 -0.538 40 0 BBABHN CC(=O)NC[C@H]1CCCCN1C(=O)CN ZINC000079417206 384139685 /nfs/dbraw/zinc/13/96/85/384139685.db2.gz AXWGKVDWOVSLKU-SECBINFHSA-N 0 3 213.281 -0.538 40 0 BBABHN CC(=O)NC[C@@H]1CCCN(C(=O)CN)C1 ZINC000079417209 187263756 /nfs/dbraw/zinc/26/37/56/187263756.db2.gz AOVCXUOZSBXOAB-VIFPVBQESA-N 0 3 213.281 -0.680 40 0 BBABHN CC(=O)NC[C@H]1CCCN(C(=O)CN)C1 ZINC000079417212 187263315 /nfs/dbraw/zinc/26/33/15/187263315.db2.gz AOVCXUOZSBXOAB-SECBINFHSA-N 0 3 213.281 -0.680 40 0 BBABHN CC(=O)N(C)C[C@@H]1CCCN1C(=O)CN ZINC000079417222 384139861 /nfs/dbraw/zinc/13/98/61/384139861.db2.gz AJBLBWSGFGZWNZ-VIFPVBQESA-N 0 3 213.281 -0.586 40 0 BBABHN CC(=O)N(C)C[C@H]1CCCN1C(=O)CN ZINC000079417224 187263629 /nfs/dbraw/zinc/26/36/29/187263629.db2.gz AJBLBWSGFGZWNZ-SECBINFHSA-N 0 3 213.281 -0.586 40 0 BBABHN CC(=O)N(C)C[C@@H]1CCN(C(=O)CN)C1 ZINC000079417227 384139571 /nfs/dbraw/zinc/13/95/71/384139571.db2.gz XUDNNUYRKGZYNJ-VIFPVBQESA-N 0 3 213.281 -0.728 40 0 BBABHN CC(=O)N(C)C[C@H]1CCN(C(=O)CN)C1 ZINC000079417230 384140118 /nfs/dbraw/zinc/14/01/18/384140118.db2.gz XUDNNUYRKGZYNJ-SECBINFHSA-N 0 3 213.281 -0.728 40 0 BBABHN CC(=O)N(C)[C@@H]1CCCN(C(=O)CN)C1 ZINC000079417234 384140178 /nfs/dbraw/zinc/14/01/78/384140178.db2.gz QVMZTLWRQPIQML-SECBINFHSA-N 0 3 213.281 -0.586 40 0 BBABHN CC(=O)N(C)[C@H]1CCCN(C(=O)CN)C1 ZINC000079417237 384139848 /nfs/dbraw/zinc/13/98/48/384139848.db2.gz QVMZTLWRQPIQML-VIFPVBQESA-N 0 3 213.281 -0.586 40 0 BBABHN CC(=O)N(C)C1CCN(C(=O)CN)CC1 ZINC000079417243 384139837 /nfs/dbraw/zinc/13/98/37/384139837.db2.gz ACMXDNIDRVHLFI-UHFFFAOYSA-N 0 3 213.281 -0.586 40 0 BBABHN CC(=O)N(C)C[C@@H]1CCCCN1C(=O)CN ZINC000079417244 384139441 /nfs/dbraw/zinc/13/94/41/384139441.db2.gz GLRHKJSEXMANCP-JTQLQIEISA-N 0 3 227.308 -0.196 40 0 BBABHN CC(=O)N(C)C[C@H]1CCCCN1C(=O)CN ZINC000079417247 187427383 /nfs/dbraw/zinc/42/73/83/187427383.db2.gz GLRHKJSEXMANCP-SNVBAGLBSA-N 0 3 227.308 -0.196 40 0 BBABHN CC(=O)N(C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000079417251 384139647 /nfs/dbraw/zinc/13/96/47/384139647.db2.gz SRZKXHCZELSDKC-JTQLQIEISA-N 0 3 227.308 -0.338 40 0 BBABHN CC(=O)N(C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000079417255 187262997 /nfs/dbraw/zinc/26/29/97/187262997.db2.gz SRZKXHCZELSDKC-SNVBAGLBSA-N 0 3 227.308 -0.338 40 0 BBABHN CC(=O)N(C)C1CCC(NC(=O)CN)CC1 ZINC000079417261 188291573 /nfs/dbraw/zinc/29/15/73/188291573.db2.gz XEHURPANUISAQP-UHFFFAOYSA-N 0 3 227.308 -0.149 40 0 BBABHN CC(=O)N(C)[C@@H]1CCCC[C@@H]1NC(=O)CN ZINC000079417265 188292123 /nfs/dbraw/zinc/29/21/23/188292123.db2.gz VTFJJYPXDLWBRZ-VHSXEESVSA-N 0 3 227.308 -0.149 40 0 BBABHN CC(=O)N(C)[C@H]1CCCC[C@@H]1NC(=O)CN ZINC000079417268 384140132 /nfs/dbraw/zinc/14/01/32/384140132.db2.gz VTFJJYPXDLWBRZ-UWVGGRQHSA-N 0 3 227.308 -0.149 40 0 BBABHN CC(=O)N(C)[C@@H]1CCCC[C@H]1NC(=O)CN ZINC000079417270 187263025 /nfs/dbraw/zinc/26/30/25/187263025.db2.gz VTFJJYPXDLWBRZ-NXEZZACHSA-N 0 3 227.308 -0.149 40 0 BBABHN CC(=O)N(C)[C@H]1CCCC[C@H]1NC(=O)CN ZINC000079417272 384139603 /nfs/dbraw/zinc/13/96/03/384139603.db2.gz VTFJJYPXDLWBRZ-ZJUUUORDSA-N 0 3 227.308 -0.149 40 0 BBABHN CCN(C(C)=O)[C@@H]1CCN(C(=O)CN)C1 ZINC000079417275 384139541 /nfs/dbraw/zinc/13/95/41/384139541.db2.gz CBGGUHZKLZVKKG-SECBINFHSA-N 0 3 213.281 -0.586 40 0 BBABHN CCN(C(C)=O)[C@H]1CCN(C(=O)CN)C1 ZINC000079417280 384139553 /nfs/dbraw/zinc/13/95/53/384139553.db2.gz CBGGUHZKLZVKKG-VIFPVBQESA-N 0 3 213.281 -0.586 40 0 BBABHN CCN(C[C@@H]1CCCN1C(=O)CN)C(C)=O ZINC000079417283 169886372 /nfs/dbraw/zinc/88/63/72/169886372.db2.gz SVEZVBLRXXCDGQ-JTQLQIEISA-N 0 3 227.308 -0.196 40 0 BBABHN CCN(C[C@H]1CCCN1C(=O)CN)C(C)=O ZINC000079417285 169897370 /nfs/dbraw/zinc/89/73/70/169897370.db2.gz SVEZVBLRXXCDGQ-SNVBAGLBSA-N 0 3 227.308 -0.196 40 0 BBABHN CCN(C[C@@H]1CCN(C(=O)CN)C1)C(C)=O ZINC000079417286 384139133 /nfs/dbraw/zinc/13/91/33/384139133.db2.gz IQTRGTBCNOJICI-JTQLQIEISA-N 0 3 227.308 -0.338 40 0 BBABHN CCN(C[C@H]1CCN(C(=O)CN)C1)C(C)=O ZINC000079417290 384139689 /nfs/dbraw/zinc/13/96/89/384139689.db2.gz IQTRGTBCNOJICI-SNVBAGLBSA-N 0 3 227.308 -0.338 40 0 BBABHN CCN(C(C)=O)[C@@H]1CCCN(C(=O)CN)C1 ZINC000079417297 384139549 /nfs/dbraw/zinc/13/95/49/384139549.db2.gz QVSNLXUGLLIVQU-SNVBAGLBSA-N 0 3 227.308 -0.196 40 0 BBABHN CCN(C(C)=O)[C@H]1CCCN(C(=O)CN)C1 ZINC000079417298 384138939 /nfs/dbraw/zinc/13/89/39/384138939.db2.gz QVSNLXUGLLIVQU-JTQLQIEISA-N 0 3 227.308 -0.196 40 0 BBABHN CCN(C(C)=O)C1CCN(C(=O)CN)CC1 ZINC000079417302 384496684 /nfs/dbraw/zinc/49/66/84/384496684.db2.gz SNRJIDJSNZOEKE-UHFFFAOYSA-N 0 3 227.308 -0.196 40 0 BBABHN CC(=O)N(C(C)C)[C@@H]1CCN(C(=O)CN)C1 ZINC000079417343 187427796 /nfs/dbraw/zinc/42/77/96/187427796.db2.gz LBFNJJQZOVMDOM-SNVBAGLBSA-N 0 3 227.308 -0.197 40 0 BBABHN CC(=O)N(C(C)C)[C@H]1CCN(C(=O)CN)C1 ZINC000079417350 384139852 /nfs/dbraw/zinc/13/98/52/384139852.db2.gz LBFNJJQZOVMDOM-JTQLQIEISA-N 0 3 227.308 -0.197 40 0 BBABHN CC(=O)N(C1CC1)[C@@H]1CCN(C(=O)CN)C1 ZINC000079417408 384139567 /nfs/dbraw/zinc/13/95/67/384139567.db2.gz QCAHFBJTQAUGNZ-SNVBAGLBSA-N 0 3 225.292 -0.443 40 0 BBABHN CC(=O)N(C1CC1)[C@H]1CCN(C(=O)CN)C1 ZINC000079417411 187263057 /nfs/dbraw/zinc/26/30/57/187263057.db2.gz QCAHFBJTQAUGNZ-JTQLQIEISA-N 0 3 225.292 -0.443 40 0 BBABHN CC(=O)N(C[C@@H]1CCCN1C(=O)CN)C1CC1 ZINC000079417415 187263448 /nfs/dbraw/zinc/26/34/48/187263448.db2.gz ZPRXLXGDPWZEBD-NSHDSACASA-N 0 3 239.319 -0.053 40 0 BBABHN CC(=O)N(C[C@H]1CCCN1C(=O)CN)C1CC1 ZINC000079417420 384139774 /nfs/dbraw/zinc/13/97/74/384139774.db2.gz ZPRXLXGDPWZEBD-LLVKDONJSA-N 0 3 239.319 -0.053 40 0 BBABHN CC(=O)N(C[C@@H]1CCN(C(=O)CN)C1)C1CC1 ZINC000079417428 188291729 /nfs/dbraw/zinc/29/17/29/188291729.db2.gz AZJVMXKPEMZQEB-SNVBAGLBSA-N 0 3 239.319 -0.196 40 0 BBABHN CC(=O)N(C[C@H]1CCN(C(=O)CN)C1)C1CC1 ZINC000079417432 384139631 /nfs/dbraw/zinc/13/96/31/384139631.db2.gz AZJVMXKPEMZQEB-JTQLQIEISA-N 0 3 239.319 -0.196 40 0 BBABHN CC(=O)N(C1CC1)[C@@H]1CCCN(C(=O)CN)C1 ZINC000079417437 384139292 /nfs/dbraw/zinc/13/92/92/384139292.db2.gz RSNNRDBLHKCUIL-LLVKDONJSA-N 0 3 239.319 -0.053 40 0 BBABHN CC(=O)N(C1CC1)[C@H]1CCCN(C(=O)CN)C1 ZINC000079417438 384138749 /nfs/dbraw/zinc/13/87/49/384138749.db2.gz RSNNRDBLHKCUIL-NSHDSACASA-N 0 3 239.319 -0.053 40 0 BBABHN CC(=O)N(C1CC1)C1CCN(C(=O)CN)CC1 ZINC000079417443 384140372 /nfs/dbraw/zinc/14/03/72/384140372.db2.gz HRFQQPZAHIRVSK-UHFFFAOYSA-N 0 3 239.319 -0.053 40 0 BBABHN CC(=O)NC[C@H]1CCCN1C(=O)[C@H](C)N ZINC000079417496 384140140 /nfs/dbraw/zinc/14/01/40/384140140.db2.gz RBOCYKJHNQUKSK-IONNQARKSA-N 0 3 213.281 -0.539 40 0 BBABHN CC(=O)NC[C@@H]1CCCN1C(=O)[C@H](C)N ZINC000079417500 384139790 /nfs/dbraw/zinc/13/97/90/384139790.db2.gz RBOCYKJHNQUKSK-CBAPKCEASA-N 0 3 213.281 -0.539 40 0 BBABHN CC(=O)NC[C@H]1CCN(C(=O)[C@H](C)N)C1 ZINC000079417502 384139641 /nfs/dbraw/zinc/13/96/41/384139641.db2.gz HXADSCZQJCTYJA-IONNQARKSA-N 0 3 213.281 -0.682 40 0 BBABHN CC(=O)NC[C@@H]1CCN(C(=O)[C@H](C)N)C1 ZINC000079417506 384139468 /nfs/dbraw/zinc/13/94/68/384139468.db2.gz HXADSCZQJCTYJA-CBAPKCEASA-N 0 3 213.281 -0.682 40 0 BBABHN CC(=O)NC1CCN(C(=O)[C@H](C)N)CC1 ZINC000079417507 384139747 /nfs/dbraw/zinc/13/97/47/384139747.db2.gz MWUAKGBSRKFXJX-ZETCQYMHSA-N 0 3 213.281 -0.539 40 0 BBABHN CC(=O)NC[C@H]1CCCCN1C(=O)[C@H](C)N ZINC000079417510 384140149 /nfs/dbraw/zinc/14/01/49/384140149.db2.gz OVRQRQQFUAQJGO-WCBMZHEXSA-N 0 3 227.308 -0.149 40 0 BBABHN CC(=O)NC[C@@H]1CCCCN1C(=O)[C@H](C)N ZINC000079417512 188291871 /nfs/dbraw/zinc/29/18/71/188291871.db2.gz OVRQRQQFUAQJGO-WPRPVWTQSA-N 0 3 227.308 -0.149 40 0 BBABHN CC(=O)NC[C@H]1CCCN(C(=O)[C@H](C)N)C1 ZINC000079417516 384138782 /nfs/dbraw/zinc/13/87/82/384138782.db2.gz HIMRSGODEYBZHH-WCBMZHEXSA-N 0 3 227.308 -0.292 40 0 BBABHN CC(=O)NC[C@@H]1CCCN(C(=O)[C@H](C)N)C1 ZINC000079417519 384139910 /nfs/dbraw/zinc/13/99/10/384139910.db2.gz HIMRSGODEYBZHH-WPRPVWTQSA-N 0 3 227.308 -0.292 40 0 BBABHN CC(=O)NCC1CCN(C(=O)[C@H](C)N)CC1 ZINC000079417522 384138768 /nfs/dbraw/zinc/13/87/68/384138768.db2.gz QGZLRGBYTIHKGD-QMMMGPOBSA-N 0 3 227.308 -0.292 40 0 BBABHN CC(=O)N(C)[C@H]1CCN(C(=O)[C@H](C)N)C1 ZINC000079417526 188136566 /nfs/dbraw/zinc/13/65/66/188136566.db2.gz PWAIAHKBKLXWJJ-CBAPKCEASA-N 0 3 213.281 -0.587 40 0 BBABHN CC(=O)N(C)[C@@H]1CCN(C(=O)[C@H](C)N)C1 ZINC000079417528 384139720 /nfs/dbraw/zinc/13/97/20/384139720.db2.gz PWAIAHKBKLXWJJ-IONNQARKSA-N 0 3 213.281 -0.587 40 0 BBABHN CC(=O)N(C)C[C@H]1CCCN1C(=O)[C@H](C)N ZINC000079417532 384138637 /nfs/dbraw/zinc/13/86/37/384138637.db2.gz ILBSYIOXIHOBBQ-WCBMZHEXSA-N 0 3 227.308 -0.197 40 0 BBABHN CC(=O)N(C)C[C@@H]1CCCN1C(=O)[C@H](C)N ZINC000079417536 384139507 /nfs/dbraw/zinc/13/95/07/384139507.db2.gz ILBSYIOXIHOBBQ-WPRPVWTQSA-N 0 3 227.308 -0.197 40 0 BBABHN CC(=O)N(C)C[C@H]1CCN(C(=O)[C@H](C)N)C1 ZINC000079417540 188291391 /nfs/dbraw/zinc/29/13/91/188291391.db2.gz KHAWJMSMWOOFQO-WCBMZHEXSA-N 0 3 227.308 -0.340 40 0 BBABHN CC(=O)N(C)C[C@@H]1CCN(C(=O)[C@H](C)N)C1 ZINC000079417544 384138803 /nfs/dbraw/zinc/13/88/03/384138803.db2.gz KHAWJMSMWOOFQO-WPRPVWTQSA-N 0 3 227.308 -0.340 40 0 BBABHN CC(=O)N(C)[C@H]1CCCN(C(=O)[C@H](C)N)C1 ZINC000079417547 384139867 /nfs/dbraw/zinc/13/98/67/384139867.db2.gz RRBVTCWADDNLJJ-WPRPVWTQSA-N 0 3 227.308 -0.197 40 0 BBABHN CC(=O)N(C)[C@@H]1CCCN(C(=O)[C@H](C)N)C1 ZINC000079417550 384138895 /nfs/dbraw/zinc/13/88/95/384138895.db2.gz RRBVTCWADDNLJJ-WCBMZHEXSA-N 0 3 227.308 -0.197 40 0 BBABHN CC(=O)N(C)C1CCN(C(=O)[C@H](C)N)CC1 ZINC000079417555 384139359 /nfs/dbraw/zinc/13/93/59/384139359.db2.gz OCGVWRBOZLKMFY-QMMMGPOBSA-N 0 3 227.308 -0.197 40 0 BBABHN CCN(C(C)=O)[C@@H]1CCN(C(=O)[C@H](C)N)C1 ZINC000079417602 384139627 /nfs/dbraw/zinc/13/96/27/384139627.db2.gz UHOLDRZKLSBVJG-WCBMZHEXSA-N 0 3 227.308 -0.197 40 0 BBABHN CCN(C(C)=O)[C@H]1CCN(C(=O)[C@H](C)N)C1 ZINC000079417605 384139889 /nfs/dbraw/zinc/13/98/89/384139889.db2.gz UHOLDRZKLSBVJG-WPRPVWTQSA-N 0 3 227.308 -0.197 40 0 BBABHN CC(=O)N(C1CC1)[C@H]1CCN(C(=O)[C@H](C)N)C1 ZINC000079417750 188292339 /nfs/dbraw/zinc/29/23/39/188292339.db2.gz BQUYBIRVABYGJI-KWQFWETISA-N 0 3 239.319 -0.055 40 0 BBABHN CC(=O)N(C1CC1)[C@@H]1CCN(C(=O)[C@H](C)N)C1 ZINC000079417756 188291770 /nfs/dbraw/zinc/29/17/70/188291770.db2.gz BQUYBIRVABYGJI-GZMMTYOYSA-N 0 3 239.319 -0.055 40 0 BBABHN CC(=O)N[C@H]1CCN(C(=O)[C@@H](N)C(C)C)C1 ZINC000079417821 384139696 /nfs/dbraw/zinc/13/96/96/384139696.db2.gz JBZXWRRMJBREKC-UWVGGRQHSA-N 0 3 227.308 -0.293 40 0 BBABHN CC(=O)N[C@@H]1CCN(C(=O)[C@@H](N)C(C)C)C1 ZINC000079417823 384496712 /nfs/dbraw/zinc/49/67/12/384496712.db2.gz JBZXWRRMJBREKC-ZJUUUORDSA-N 0 3 227.308 -0.293 40 0 BBABHN CC(=O)NC[C@H]1CCN(C(=O)[C@@H](N)C(C)C)C1 ZINC000079417832 384139411 /nfs/dbraw/zinc/13/94/11/384139411.db2.gz VAAFABBAGDNEQF-MNOVXSKESA-N 0 3 241.335 -0.046 40 0 BBABHN CC(=O)NC[C@@H]1CCN(C(=O)[C@@H](N)C(C)C)C1 ZINC000079417836 188291889 /nfs/dbraw/zinc/29/18/89/188291889.db2.gz VAAFABBAGDNEQF-QWRGUYRKSA-N 0 3 241.335 -0.046 40 0 BBABHN NCC(=O)N(Cc1cnccn1)C1CC1 ZINC000079435461 181347665 /nfs/dbraw/zinc/34/76/65/181347665.db2.gz BKEMEWJMUHJCOD-UHFFFAOYSA-N 0 3 206.249 -0.074 40 0 BBABHN CSc1nccnc1CNC(=O)CN ZINC000079435482 384146784 /nfs/dbraw/zinc/14/67/84/384146784.db2.gz RWEFJSCVCBBGKU-UHFFFAOYSA-N 0 3 212.278 -0.227 40 0 BBABHN COc1nccnc1CN(C)C(=O)CN ZINC000079435512 384146895 /nfs/dbraw/zinc/14/68/95/384146895.db2.gz JJBQCPJRGCEPES-UHFFFAOYSA-N 0 3 210.237 -0.598 40 0 BBABHN COc1nccnc1CN(C(=O)CN)C1CC1 ZINC000079435518 384146864 /nfs/dbraw/zinc/14/68/64/384146864.db2.gz CLIUHLLYXBOOHK-UHFFFAOYSA-N 0 3 236.275 -0.065 40 0 BBABHN NCC(=O)NCc1nccnc1Cl ZINC000079435535 181353801 /nfs/dbraw/zinc/35/38/01/181353801.db2.gz XWSVHNHJYDYXQA-UHFFFAOYSA-N 0 3 200.629 -0.295 40 0 BBABHN NCC(=O)NCc1ccc(Cl)nn1 ZINC000079435651 181353974 /nfs/dbraw/zinc/35/39/74/181353974.db2.gz DDFOUONYRBFLME-UHFFFAOYSA-N 0 3 200.629 -0.295 40 0 BBABHN COc1ccc(CN(C)C(=O)CN)nn1 ZINC000079435681 384146965 /nfs/dbraw/zinc/14/69/65/384146965.db2.gz UWPSNEADPKZFML-UHFFFAOYSA-N 0 3 210.237 -0.598 40 0 BBABHN COc1ccc(CN(C(=O)CN)C2CC2)nn1 ZINC000079435688 384146667 /nfs/dbraw/zinc/14/66/67/384146667.db2.gz VYEQYANDTZUINK-UHFFFAOYSA-N 0 3 236.275 -0.065 40 0 BBABHN COc1nccnc1CNC(=O)[C@H](C)N ZINC000079435745 384146717 /nfs/dbraw/zinc/14/67/17/384146717.db2.gz UHSKMTLUWBSSQF-LURJTMIESA-N 0 3 210.237 -0.551 40 0 BBABHN COc1nccnc1CN(C)C(=O)[C@H](C)N ZINC000079435747 384146500 /nfs/dbraw/zinc/14/65/00/384146500.db2.gz ACJFRCGTRWOANC-ZETCQYMHSA-N 0 3 224.264 -0.209 40 0 BBABHN C[C@H](N)C(=O)NCC(=O)c1cnccn1 ZINC000079435844 384146997 /nfs/dbraw/zinc/14/69/97/384146997.db2.gz VAMLQOMHXGXRKO-LURJTMIESA-N 0 3 208.221 -0.877 40 0 BBABHN C[C@H](N)C(=O)N(C)CC(=O)c1cnccn1 ZINC000079435848 384146862 /nfs/dbraw/zinc/14/68/62/384146862.db2.gz CNJVQECYCAYTFN-ZETCQYMHSA-N 0 3 222.248 -0.535 40 0 BBABHN C[C@H](N)C(=O)N(CC(=O)c1cnccn1)C1CC1 ZINC000079435852 384496174 /nfs/dbraw/zinc/49/61/74/384496174.db2.gz MGPMVTOJQBMOBT-QMMMGPOBSA-N 0 3 248.286 -0.003 40 0 BBABHN CC(C)[C@H](N)C(=O)NCC(=O)c1cnccn1 ZINC000079435855 384146982 /nfs/dbraw/zinc/14/69/82/384146982.db2.gz GKZQQGIVOQSZSG-JTQLQIEISA-N 0 3 236.275 -0.241 40 0 BBABHN COc1ccc(CNC(=O)[C@H](C)N)nn1 ZINC000079435887 175104581 /nfs/dbraw/zinc/10/45/81/175104581.db2.gz QCLNRIMBUTWEAL-LURJTMIESA-N 0 3 210.237 -0.551 40 0 BBABHN COc1ccc(CN(C)C(=O)[C@H](C)N)nn1 ZINC000079435890 188292236 /nfs/dbraw/zinc/29/22/36/188292236.db2.gz AGMRWMJPOXLGAM-ZETCQYMHSA-N 0 3 224.264 -0.209 40 0 BBABHN C[C@H](N)C(=O)NCC(=O)c1nccs1 ZINC000079436346 384146993 /nfs/dbraw/zinc/14/69/93/384146993.db2.gz VCZWCMUKNFTHIA-YFKPBYRVSA-N 0 3 213.262 -0.211 40 0 BBABHN O=S(=O)([N-][C@@H]1CC[NH2+]C1)c1ccccn1 ZINC000079440652 388695954 /nfs/dbraw/zinc/69/59/54/388695954.db2.gz XZEHHPIYFIZFHD-MRVPVSSYSA-N 0 3 227.289 -0.278 40 0 BBABHN O=S(=O)([N-][C@H]1CC[NH2+]C1)c1ccccn1 ZINC000079440655 388695749 /nfs/dbraw/zinc/69/57/49/388695749.db2.gz XZEHHPIYFIZFHD-QMMMGPOBSA-N 0 3 227.289 -0.278 40 0 BBABHN CC(C)[C@@H](C(=O)[C@H](C)N)[C@H]([NH3+])C(=O)[O-] ZINC000079670384 167346836 /nfs/dbraw/zinc/34/68/36/167346836.db2.gz JPNVOPOXEZGPIM-XVMARJQXSA-N 0 3 202.254 -0.413 40 0 BBABHN CC(C)[C@H](C(=O)[C@H](C)N)[C@H]([NH3+])C(=O)[O-] ZINC000079670387 384509393 /nfs/dbraw/zinc/50/93/93/384509393.db2.gz JPNVOPOXEZGPIM-ACZMJKKPSA-N 0 3 202.254 -0.413 40 0 BBABHN CNCC(=O)N1CCC([C@H](C)O)CC1 ZINC000082276164 359769289 /nfs/dbraw/zinc/76/92/89/359769289.db2.gz WXKDGVSTYHOLPF-QMMMGPOBSA-N 0 3 200.282 -0.175 40 0 BBABHN CNCC(=O)N1CCC([C@@H](C)O)CC1 ZINC000082276165 345906142 /nfs/dbraw/zinc/90/61/42/345906142.db2.gz WXKDGVSTYHOLPF-MRVPVSSYSA-N 0 3 200.282 -0.175 40 0 BBABHN CNCC(=O)N1CCCC[C@H]1[C@H](C)O ZINC000082276166 345906354 /nfs/dbraw/zinc/90/63/54/345906354.db2.gz UUFZOTSKGMMSIH-IUCAKERBSA-N 0 3 200.282 -0.032 40 0 BBABHN CNCC(=O)N1CCCC[C@H]1[C@@H](C)O ZINC000082276167 345906019 /nfs/dbraw/zinc/90/60/19/345906019.db2.gz UUFZOTSKGMMSIH-BDAKNGLRSA-N 0 3 200.282 -0.032 40 0 BBABHN CNCC(=O)N1CCCC[C@@H]1[C@H](C)O ZINC000082276168 345906613 /nfs/dbraw/zinc/90/66/13/345906613.db2.gz UUFZOTSKGMMSIH-DTWKUNHWSA-N 0 3 200.282 -0.032 40 0 BBABHN CNCC(=O)N1CCCC[C@@H]1[C@@H](C)O ZINC000082276169 345906403 /nfs/dbraw/zinc/90/64/03/345906403.db2.gz UUFZOTSKGMMSIH-RKDXNWHRSA-N 0 3 200.282 -0.032 40 0 BBABHN COc1ncccc1C(=O)N1CC(N)C1 ZINC000082590409 345909923 /nfs/dbraw/zinc/90/99/23/345909923.db2.gz RXIQSBYRNPPYOX-UHFFFAOYSA-N 0 3 207.233 -0.127 40 0 BBABHN NC1CN(CC(=O)NCc2ccccc2)C1 ZINC000082595593 345910527 /nfs/dbraw/zinc/91/05/27/345910527.db2.gz CLTWIMLOQOHZJE-UHFFFAOYSA-N 0 3 219.288 -0.054 40 0 BBABHN Cn1ncc(CN)c1CN1CCOCC1 ZINC000082641407 384254207 /nfs/dbraw/zinc/25/42/07/384254207.db2.gz JOJTVIXOBGDCQT-UHFFFAOYSA-N 0 3 210.281 -0.289 40 0 BBABHN O=S(=O)(NN1CCNCC1)c1ccccc1 ZINC000083250775 343519611 /nfs/dbraw/zinc/51/96/11/343519611.db2.gz RBFWRXIWNYIBHO-UHFFFAOYSA-N 0 3 241.316 -0.215 40 0 BBABHN CC(=O)NCC1CCN(CCO)CC1 ZINC000083320860 384291052 /nfs/dbraw/zinc/29/10/52/384291052.db2.gz BTHZCTOYHQQFRW-UHFFFAOYSA-N 0 3 200.282 -0.173 40 0 BBABHN CC(=O)NCC1CCN(C(=O)CN)CC1 ZINC000083320893 187267354 /nfs/dbraw/zinc/26/73/54/187267354.db2.gz QRNJCMFNOKRAKM-UHFFFAOYSA-N 0 3 213.281 -0.680 40 0 BBABHN NC1(C2(O)OCCO2)CCC(=O)CC1 ZINC000083443939 181331476 /nfs/dbraw/zinc/33/14/76/181331476.db2.gz RXOXOMSUVMVMRC-UHFFFAOYSA-N 0 3 201.222 -0.480 40 0 BBABHN Cc1cc(NC(=O)CN2CC(N)C2)no1 ZINC000083635800 345919603 /nfs/dbraw/zinc/91/96/03/345919603.db2.gz CEKDFMMUFDKJCK-UHFFFAOYSA-N 0 3 210.237 -0.436 40 0 BBABHN NC1CN(CC(=O)NCc2ccco2)C1 ZINC000083636003 343492040 /nfs/dbraw/zinc/49/20/40/343492040.db2.gz SVQSRONXUOZCEJ-UHFFFAOYSA-N 0 3 209.249 -0.461 40 0 BBABHN NC1CN(CC(=O)Nc2nccs2)C1 ZINC000083636171 345919614 /nfs/dbraw/zinc/91/96/14/345919614.db2.gz OFRCEGZADDUZLH-UHFFFAOYSA-N 0 3 212.278 -0.276 40 0 BBABHN CC1CCN(C(=O)CN2CC(N)C2)CC1 ZINC000083636456 345919620 /nfs/dbraw/zinc/91/96/20/345919620.db2.gz FMXJQPSBIMFATH-UHFFFAOYSA-N 0 3 211.309 -0.112 40 0 BBABHN CN(C)CCNC(=O)c1nn(C)cc1N ZINC000083744715 538520777 /nfs/dbraw/zinc/52/07/77/538520777.db2.gz URPZTZFXORSURS-UHFFFAOYSA-N 0 3 211.269 -0.706 40 0 BBABHN CN(C)CCNC(=O)c1c(N)cnn1C ZINC000083745013 384856816 /nfs/dbraw/zinc/85/68/16/384856816.db2.gz ITMJBSXKEGTJJM-UHFFFAOYSA-N 0 3 211.269 -0.706 40 0 BBABHN CCn1ncc(N)c1C(=O)NCCN(C)C ZINC000083745391 538521113 /nfs/dbraw/zinc/52/11/13/538521113.db2.gz NOCDYDSZWZRZDU-UHFFFAOYSA-N 0 3 225.296 -0.223 40 0 BBABHN CCn1cc(N)c(C(=O)NCCN(C)C)n1 ZINC000083745509 538521195 /nfs/dbraw/zinc/52/11/95/538521195.db2.gz XNZSYAXAMGYVAC-UHFFFAOYSA-N 0 3 225.296 -0.223 40 0 BBABHN NCC(=O)N1CCC(N2CCOCC2)CC1 ZINC000083909906 345920583 /nfs/dbraw/zinc/92/05/83/345920583.db2.gz FQOALACRWRIERX-UHFFFAOYSA-N 0 3 227.308 -0.732 40 0 BBABHN C[C@H](N)C(=O)N1CCC(N2CCOCC2)CC1 ZINC000083909907 345920737 /nfs/dbraw/zinc/92/07/37/345920737.db2.gz OJUSYVQMCWIXBA-JTQLQIEISA-N 0 3 241.335 -0.343 40 0 BBABHN C[C@@H](N)C(=O)N1CCC(N2CCOCC2)CC1 ZINC000083909909 345920796 /nfs/dbraw/zinc/92/07/96/345920796.db2.gz OJUSYVQMCWIXBA-SNVBAGLBSA-N 0 3 241.335 -0.343 40 0 BBABHN CNCC(=O)N1CCC(N2CCOCC2)CC1 ZINC000083909913 345920835 /nfs/dbraw/zinc/92/08/35/345920835.db2.gz SNZAFFVYQJNGFP-UHFFFAOYSA-N 0 3 241.335 -0.471 40 0 BBABHN COCCN1CCN(C(=O)[C@H](C)N)CC1 ZINC000083960776 384756990 /nfs/dbraw/zinc/75/69/90/384756990.db2.gz BUCYJDSJWZTTKA-VIFPVBQESA-N 0 3 215.297 -0.876 40 0 BBABHN COCCN1CCN(C(=O)[C@@H](C)N)CC1 ZINC000083960777 384756269 /nfs/dbraw/zinc/75/62/69/384756269.db2.gz BUCYJDSJWZTTKA-SECBINFHSA-N 0 3 215.297 -0.876 40 0 BBABHN Cc1nn(C)c(C)c1S(=O)(=O)NC1CNC1 ZINC000085256323 345929155 /nfs/dbraw/zinc/92/91/55/345929155.db2.gz YIIABWQRTMJCMO-UHFFFAOYSA-N 0 3 244.320 -0.713 40 0 BBABHN Cc1n[nH]c(C)c1S(=O)(=O)NC1CNC1 ZINC000085256454 345929427 /nfs/dbraw/zinc/92/94/27/345929427.db2.gz WWZMCFWNRRLGJV-UHFFFAOYSA-N 0 3 230.293 -0.723 40 0 BBABHN O=S(=O)(NC1CNC1)c1cccs1 ZINC000085256540 388085851 /nfs/dbraw/zinc/08/58/51/388085851.db2.gz CBPYCKUDNVBADA-UHFFFAOYSA-N 0 3 218.303 -0.002 40 0 BBABHN Cc1noc(-c2cn(C3CNC3)nn2)n1 ZINC000086194425 357872480 /nfs/dbraw/zinc/87/24/80/357872480.db2.gz VJARHTDGHQTRFD-UHFFFAOYSA-N 0 3 206.209 -0.219 40 0 BBABHN NC1CN(c2cn[nH]c(=O)c2Cl)C1 ZINC000087798582 355858062 /nfs/dbraw/zinc/85/80/62/355858062.db2.gz UIRONMOJFDAGSD-UHFFFAOYSA-N 0 3 200.629 -0.017 40 0 BBABHN Cc1nc(N)cc(N2CCNC(=O)C2)n1 ZINC000087806234 345941205 /nfs/dbraw/zinc/94/12/05/345941205.db2.gz MDAPETALMTUCHI-UHFFFAOYSA-N 0 3 207.237 -0.697 40 0 BBABHN CNc1cc(N2CCNC(=O)C2)nc(C)n1 ZINC000087806236 345940733 /nfs/dbraw/zinc/94/07/33/345940733.db2.gz XTIVIFDXLLQYSM-UHFFFAOYSA-N 0 3 221.264 -0.237 40 0 BBABHN Cc1nc(N)cc(N[C@@H]2CCS(=O)(=O)C2)n1 ZINC000087808065 345942138 /nfs/dbraw/zinc/94/21/38/345942138.db2.gz OTEUMBBAPZFODE-SSDOTTSWSA-N 0 3 242.304 -0.034 40 0 BBABHN Cc1nc(N)cc(N[C@H]2CCS(=O)(=O)C2)n1 ZINC000087808066 345941820 /nfs/dbraw/zinc/94/18/20/345941820.db2.gz OTEUMBBAPZFODE-ZETCQYMHSA-N 0 3 242.304 -0.034 40 0 BBABHN O=C([C@@H]1C[C@H](F)CN1)N1CCOCC1 ZINC000088344479 368382736 /nfs/dbraw/zinc/38/27/36/368382736.db2.gz HPMUTOXSDYPWBA-YUMQZZPRSA-N 0 3 202.229 -0.455 40 0 BBABHN C[C@@H](O)[C@@H]1CCCN([C@@H](C)C(N)=O)C1 ZINC000089929016 385210232 /nfs/dbraw/zinc/21/02/32/385210232.db2.gz OWEYTYHITSEJRZ-DJLDLDEBSA-N 0 3 200.282 -0.047 40 0 BBABHN C[C@@H](O)[C@H]1CCCN([C@@H](C)C(N)=O)C1 ZINC000089929018 385211039 /nfs/dbraw/zinc/21/10/39/385211039.db2.gz OWEYTYHITSEJRZ-YIZRAAEISA-N 0 3 200.282 -0.047 40 0 BBABHN c1nnnn1-c1nc2c(s1)CNCC2 ZINC000090397485 183553308 /nfs/dbraw/zinc/55/33/08/183553308.db2.gz SWKLHQMAAIUSMY-UHFFFAOYSA-N 0 3 208.250 -0.236 40 0 BBABHN O=S(=O)([N-]C1CC[NH2+]CC1)c1cnoc1 ZINC000090397533 384044661 /nfs/dbraw/zinc/04/46/61/384044661.db2.gz GAYQLTGANOQJQV-UHFFFAOYSA-N 0 3 231.277 -0.295 40 0 BBABHN O=C(CN1CCCCC1)N1CCNCC1 ZINC000095093695 384892036 /nfs/dbraw/zinc/89/20/36/384892036.db2.gz KYTKTQOKXDCSJY-UHFFFAOYSA-N 0 3 211.309 -0.096 40 0 BBABHN C[C@H](N)C(=O)N1CCc2c(nnn2C)C1 ZINC000095097452 385427750 /nfs/dbraw/zinc/42/77/50/385427750.db2.gz WAOZGJXPRACZFD-LURJTMIESA-N 0 3 209.253 -0.953 40 0 BBABHN C[C@@H](N)C(=O)N1CCc2c(nnn2C)C1 ZINC000095097453 385428209 /nfs/dbraw/zinc/42/82/09/385428209.db2.gz WAOZGJXPRACZFD-ZCFIWIBFSA-N 0 3 209.253 -0.953 40 0 BBABHN CN(C)CCn1ncc2c(c1=O)CNCC2 ZINC000095098027 385484513 /nfs/dbraw/zinc/48/45/13/385484513.db2.gz GJSVAQYZOFTRDV-UHFFFAOYSA-N 0 3 222.292 -0.549 40 0 BBABHN CC(C)(C)OC(=O)N1CC(N)(CO)C1 ZINC000095707440 386599178 /nfs/dbraw/zinc/59/91/78/386599178.db2.gz JWVHLOXEHDYSLW-UHFFFAOYSA-N 0 3 202.254 -0.073 40 0 BBABHN O=C(Cc1ccccn1)N1CCOC2(CNC2)C1 ZINC000096050993 182046498 /nfs/dbraw/zinc/04/64/98/182046498.db2.gz SMLDONDWEUEMDI-UHFFFAOYSA-N 0 3 247.298 -0.175 40 0 BBABHN O=C([C@@H]1CCOC1)N1CCOC2(CNC2)C1 ZINC000096050998 384429952 /nfs/dbraw/zinc/42/99/52/384429952.db2.gz IFTCCKDPWSGKBH-SECBINFHSA-N 0 3 226.276 -0.776 40 0 BBABHN O=C([C@H]1CCOC1)N1CCOC2(CNC2)C1 ZINC000096050999 384429069 /nfs/dbraw/zinc/42/90/69/384429069.db2.gz IFTCCKDPWSGKBH-VIFPVBQESA-N 0 3 226.276 -0.776 40 0 BBABHN CC(C)NC(=O)N1CCOC2(CNC2)C1 ZINC000096051001 167069835 /nfs/dbraw/zinc/06/98/35/167069835.db2.gz VRLKRGJDGYTLEZ-UHFFFAOYSA-N 0 3 213.281 -0.221 40 0 BBABHN O=C(N1CCCC1)N1CCOC2(CNC2)C1 ZINC000096051002 182079917 /nfs/dbraw/zinc/07/99/17/182079917.db2.gz LLQBXCHDSGKEFI-UHFFFAOYSA-N 0 3 225.292 -0.124 40 0 BBABHN O=C(C1CCOCC1)N1CCOC2(CNC2)C1 ZINC000096051005 384428653 /nfs/dbraw/zinc/42/86/53/384428653.db2.gz BIOVIZHIRJAIPS-UHFFFAOYSA-N 0 3 240.303 -0.386 40 0 BBABHN CS(=O)(=O)N1CCC[C@]2(CNCCO2)C1 ZINC000096074957 384432583 /nfs/dbraw/zinc/43/25/83/384432583.db2.gz XCZNOXZYFIRHHD-VIFPVBQESA-N 0 3 234.321 -0.600 40 0 BBABHN CS(=O)(=O)N1CCC[C@@]2(CNCCO2)C1 ZINC000096074958 384431608 /nfs/dbraw/zinc/43/16/08/384431608.db2.gz XCZNOXZYFIRHHD-SECBINFHSA-N 0 3 234.321 -0.600 40 0 BBABHN CN(C)CC(=O)N1C[C@@H]2CN(C)CCO[C@@H]2C1 ZINC000096107941 384433760 /nfs/dbraw/zinc/43/37/60/384433760.db2.gz IGXBHCMEOXGIEN-WDEREUQCSA-N 0 3 241.335 -0.663 40 0 BBABHN CN1C[C@@H]2COC[C@]2(CNS(C)(=O)=O)C1 ZINC000096108344 173189548 /nfs/dbraw/zinc/18/95/48/173189548.db2.gz MSVKNFAJEGWJNZ-BDAKNGLRSA-N 0 3 234.321 -0.886 40 0 BBABHN CN(C)C(=O)CN1CCC[C@]2(CNCCO2)C1 ZINC000096226758 172364866 /nfs/dbraw/zinc/36/48/66/172364866.db2.gz NMZVEZVIDDIYMN-LBPRGKRZSA-N 0 3 241.335 -0.471 40 0 BBABHN CN(C)C(=O)CN1CCC[C@@]2(CNCCO2)C1 ZINC000096226759 172365850 /nfs/dbraw/zinc/36/58/50/172365850.db2.gz NMZVEZVIDDIYMN-GFCCVEGCSA-N 0 3 241.335 -0.471 40 0 BBABHN CC(=O)N1CCO[C@@]2(C1)CNCCOC2 ZINC000096228934 187289108 /nfs/dbraw/zinc/28/91/08/187289108.db2.gz SHCLSRRBDSLONC-SNVBAGLBSA-N 0 3 214.265 -0.776 40 0 BBABHN CC(=O)N1CCO[C@]2(C1)CNCCOC2 ZINC000096228935 188147906 /nfs/dbraw/zinc/14/79/06/188147906.db2.gz SHCLSRRBDSLONC-JTQLQIEISA-N 0 3 214.265 -0.776 40 0 BBABHN CC(C)C(=O)N1CCO[C@@]2(C1)CNCCOC2 ZINC000096228936 384447245 /nfs/dbraw/zinc/44/72/45/384447245.db2.gz ANVKPCMZKPDXTC-GFCCVEGCSA-N 0 3 242.319 -0.140 40 0 BBABHN CC(C)C(=O)N1CCO[C@]2(C1)CNCCOC2 ZINC000096228937 384445660 /nfs/dbraw/zinc/44/56/60/384445660.db2.gz ANVKPCMZKPDXTC-LBPRGKRZSA-N 0 3 242.319 -0.140 40 0 BBABHN CC(C)C(=O)N1CCNC[C@@]2(CNC(=O)C2)C1 ZINC000096238334 387023975 /nfs/dbraw/zinc/02/39/75/387023975.db2.gz KFLZNZAELURFEM-LBPRGKRZSA-N 0 3 239.319 -0.420 40 0 BBABHN CC(C)C(=O)N1CCNC[C@]2(CNC(=O)C2)C1 ZINC000096238335 387024191 /nfs/dbraw/zinc/02/41/91/387024191.db2.gz KFLZNZAELURFEM-GFCCVEGCSA-N 0 3 239.319 -0.420 40 0 BBABHN CCN1C[C@@]2(CNCCOC2)OCC1=O ZINC000096241197 170032503 /nfs/dbraw/zinc/03/25/03/170032503.db2.gz KGRRIJXWOQOGFT-SNVBAGLBSA-N 0 3 214.265 -0.776 40 0 BBABHN CCN1C[C@]2(CNCCOC2)OCC1=O ZINC000096241198 170041143 /nfs/dbraw/zinc/04/11/43/170041143.db2.gz KGRRIJXWOQOGFT-JTQLQIEISA-N 0 3 214.265 -0.776 40 0 BBABHN O=C1CO[C@@]2(CN1CC1CC1)CNCCOC2 ZINC000096241207 384445277 /nfs/dbraw/zinc/44/52/77/384445277.db2.gz QJCLJQAALQBFRA-GFCCVEGCSA-N 0 3 240.303 -0.386 40 0 BBABHN O=C1CO[C@]2(CN1CC1CC1)CNCCOC2 ZINC000096241208 384444871 /nfs/dbraw/zinc/44/48/71/384444871.db2.gz QJCLJQAALQBFRA-LBPRGKRZSA-N 0 3 240.303 -0.386 40 0 BBABHN O=C1[C@H]2CN(CCO)C[C@H]2CN1c1cccnc1 ZINC000096245381 384446122 /nfs/dbraw/zinc/44/61/22/384446122.db2.gz OIHXHPCFIPMUQE-JQWIXIFHSA-N 0 3 247.298 -0.032 40 0 BBABHN CN1C[C@H]2C[C@H](C(=O)N3CCOCC3)[C@@H](C1)O2 ZINC000096253246 173199587 /nfs/dbraw/zinc/19/95/87/173199587.db2.gz UCIKSYGCLAVFQJ-OUAUKWLOSA-N 0 3 240.303 -0.436 40 0 BBABHN O=c1ccc2c([nH]1)CCN(CCO)CC2 ZINC000096260673 183001184 /nfs/dbraw/zinc/00/11/84/183001184.db2.gz OWFUBBGEMSECFB-UHFFFAOYSA-N 0 3 208.261 -0.232 40 0 BBABHN CCN1C[C@@]23CNC[C@@H](C[C@@H]2S1(=O)=O)O3 ZINC000096264047 170032918 /nfs/dbraw/zinc/03/29/18/170032918.db2.gz KYRHHXKLBXXULO-VGMNWLOBSA-N 0 3 232.305 -0.849 40 0 BBABHN CC(=O)NC[C@H]1OC[C@@H](NC2CCC2)[C@@H]1O ZINC000096296077 188364850 /nfs/dbraw/zinc/36/48/50/188364850.db2.gz SJHBIBWCKVQUAW-MXWKQRLJSA-N 0 3 228.292 -0.607 40 0 biogenic,in-vitro BBABHN CCS(=O)(=O)C1(CN)CCOCC1 ZINC000096510060 385246932 /nfs/dbraw/zinc/24/69/32/385246932.db2.gz BKJJKCRAZLZEAK-UHFFFAOYSA-N 0 3 207.295 -0.071 40 0 BBABHN NCC(=O)N1CCc2c(nnn2C2CC2)C1 ZINC000096511400 181349285 /nfs/dbraw/zinc/34/92/85/181349285.db2.gz QQHVJRXWXUQJKU-UHFFFAOYSA-N 0 3 221.264 -0.544 40 0 BBABHN Cc1cc(=O)n2nc(N3CCC([NH3+])CC3)[n-]c2n1 ZINC000096516054 385257503 /nfs/dbraw/zinc/25/75/03/385257503.db2.gz MINGJKHUJJEEML-UHFFFAOYSA-N 0 3 248.290 -0.346 40 0 BBABHN Cc1cc(=O)n2nc(N3CCC[C@H]([NH3+])C3)[n-]c2n1 ZINC000096516056 385258419 /nfs/dbraw/zinc/25/84/19/385258419.db2.gz UNANOACGEWXGOC-QMMMGPOBSA-N 0 3 248.290 -0.346 40 0 BBABHN Cc1cc(=O)n2nc(N3CCC[C@@H]([NH3+])C3)[n-]c2n1 ZINC000096516057 385259032 /nfs/dbraw/zinc/25/90/32/385259032.db2.gz UNANOACGEWXGOC-MRVPVSSYSA-N 0 3 248.290 -0.346 40 0 BBABHN Cc1cc(=O)n2nc(N3CC[C@H](N)C3)[nH]c2n1 ZINC000096516060 385257849 /nfs/dbraw/zinc/25/78/49/385257849.db2.gz JIZTWSJNXIVHDD-ZETCQYMHSA-N 0 3 234.263 -0.737 40 0 BBABHN Cc1cc(=O)n2nc(N3CC[C@H]([NH3+])C3)[n-]c2n1 ZINC000096516060 385257842 /nfs/dbraw/zinc/25/78/42/385257842.db2.gz JIZTWSJNXIVHDD-ZETCQYMHSA-N 0 3 234.263 -0.737 40 0 BBABHN Cc1cc(=O)n2nc(N3CC[C@H](N)C3)[n-]c2n1 ZINC000096516060 385257839 /nfs/dbraw/zinc/25/78/39/385257839.db2.gz JIZTWSJNXIVHDD-ZETCQYMHSA-N 0 3 234.263 -0.737 40 0 BBABHN Cc1cc(=O)n2nc(N3CC[C@@H](N)C3)[nH]c2n1 ZINC000096516061 385259283 /nfs/dbraw/zinc/25/92/83/385259283.db2.gz JIZTWSJNXIVHDD-SSDOTTSWSA-N 0 3 234.263 -0.737 40 0 BBABHN Cc1cc(=O)n2nc(N3CC[C@@H]([NH3+])C3)[n-]c2n1 ZINC000096516061 385259279 /nfs/dbraw/zinc/25/92/79/385259279.db2.gz JIZTWSJNXIVHDD-SSDOTTSWSA-N 0 3 234.263 -0.737 40 0 BBABHN Cc1cc(=O)n2nc(N3CC[C@@H](N)C3)[n-]c2n1 ZINC000096516061 385259277 /nfs/dbraw/zinc/25/92/77/385259277.db2.gz JIZTWSJNXIVHDD-SSDOTTSWSA-N 0 3 234.263 -0.737 40 0 BBABHN O=C(c1[nH]nc2c1CNC2)N1CCOCC1 ZINC000096516097 384464627 /nfs/dbraw/zinc/46/46/27/384464627.db2.gz IHNFKPMVIALFGY-UHFFFAOYSA-N 0 3 222.248 -0.515 40 0 BBABHN COCCn1cnc2c(c1=O)CNCC2 ZINC000096516470 188321331 /nfs/dbraw/zinc/32/13/31/188321331.db2.gz BKKBPFMOHNXZDJ-UHFFFAOYSA-N 0 3 209.249 -0.465 40 0 BBABHN COCCn1c(C)nc2c(c1=O)CNCC2 ZINC000096516482 385258097 /nfs/dbraw/zinc/25/80/97/385258097.db2.gz ZMCNURNVWCNLLT-UHFFFAOYSA-N 0 3 223.276 -0.156 40 0 BBABHN Cc1cc(=O)n(C)c(N2CCNCC2)n1 ZINC000096516679 385260696 /nfs/dbraw/zinc/26/06/96/385260696.db2.gz JUKIEUDJQYPMGJ-UHFFFAOYSA-N 0 3 208.265 -0.502 40 0 BBABHN Cc1cc(=O)n(C)c(N2CC[C@H](N)C2)n1 ZINC000096516696 384466087 /nfs/dbraw/zinc/46/60/87/384466087.db2.gz FVAQGBMHBDZTPP-QMMMGPOBSA-N 0 3 208.265 -0.374 40 0 BBABHN Cc1cc(=O)n(C)c(N2CC[C@@H](N)C2)n1 ZINC000096516698 385262008 /nfs/dbraw/zinc/26/20/08/385262008.db2.gz FVAQGBMHBDZTPP-MRVPVSSYSA-N 0 3 208.265 -0.374 40 0 BBABHN COCc1cc(=O)[n-]c(N2CCC[C@H]([NH3+])C2)n1 ZINC000096516723 385261693 /nfs/dbraw/zinc/26/16/93/385261693.db2.gz ALBSOLRFQYLPKO-QMMMGPOBSA-N 0 3 238.291 -0.156 40 0 BBABHN COCc1cc(=O)[n-]c(N2CCC[C@@H]([NH3+])C2)n1 ZINC000096516724 385261709 /nfs/dbraw/zinc/26/17/09/385261709.db2.gz ALBSOLRFQYLPKO-MRVPVSSYSA-N 0 3 238.291 -0.156 40 0 BBABHN CCc1cc(=O)n(C)c(N2CCNCC2)n1 ZINC000096516752 385262079 /nfs/dbraw/zinc/26/20/79/385262079.db2.gz NKUOZVLJELJCPO-UHFFFAOYSA-N 0 3 222.292 -0.248 40 0 BBABHN CCc1cc(=O)n(C)c(N2CC[C@H](N)C2)n1 ZINC000096516767 385262553 /nfs/dbraw/zinc/26/25/53/385262553.db2.gz NIJWQKKSFJZEDX-QMMMGPOBSA-N 0 3 222.292 -0.120 40 0 BBABHN CCc1cc(=O)n(C)c(N2CC[C@@H](N)C2)n1 ZINC000096516769 385261185 /nfs/dbraw/zinc/26/11/85/385261185.db2.gz NIJWQKKSFJZEDX-MRVPVSSYSA-N 0 3 222.292 -0.120 40 0 BBABHN Cc1nc(N2CCNCC2)n(C)c(=O)c1C ZINC000096516771 385261569 /nfs/dbraw/zinc/26/15/69/385261569.db2.gz CPCXZTPDTFTTRV-UHFFFAOYSA-N 0 3 222.292 -0.193 40 0 BBABHN Cc1nc(N2CC[C@H](N)C2)n(C)c(=O)c1C ZINC000096516788 180003532 /nfs/dbraw/zinc/00/35/32/180003532.db2.gz FQFBFZPVUOOURX-VIFPVBQESA-N 0 3 222.292 -0.065 40 0 BBABHN Cc1nc(N2CC[C@@H](N)C2)n(C)c(=O)c1C ZINC000096516790 180003429 /nfs/dbraw/zinc/00/34/29/180003429.db2.gz FQFBFZPVUOOURX-SECBINFHSA-N 0 3 222.292 -0.065 40 0 BBABHN COCc1cc(=O)n(C)c(N2CCNCC2)n1 ZINC000096516808 132431513 /nfs/dbraw/zinc/43/15/13/132431513.db2.gz JFKXHEITTZADNO-UHFFFAOYSA-N 0 3 238.291 -0.664 40 0 BBABHN COCc1cc(=O)n(C)c(N2CC[C@H](N)C2)n1 ZINC000096516817 385260983 /nfs/dbraw/zinc/26/09/83/385260983.db2.gz XRXVPJKWJUHNDX-QMMMGPOBSA-N 0 3 238.291 -0.536 40 0 BBABHN COCc1cc(=O)n(C)c(N2CC[C@@H](N)C2)n1 ZINC000096516818 385262003 /nfs/dbraw/zinc/26/20/03/385262003.db2.gz XRXVPJKWJUHNDX-MRVPVSSYSA-N 0 3 238.291 -0.536 40 0 BBABHN Cn1c(=O)c2c(nc1N1CCNCC1)CCC2 ZINC000096516819 385262659 /nfs/dbraw/zinc/26/26/59/385262659.db2.gz JCISBOWCDACNFI-UHFFFAOYSA-N 0 3 234.303 -0.321 40 0 BBABHN Cn1c(N2CC[C@H](N)C2)nc2c(c1=O)CCC2 ZINC000096516828 385252720 /nfs/dbraw/zinc/25/27/20/385252720.db2.gz KCJHOXWLMBLMFF-QMMMGPOBSA-N 0 3 234.303 -0.194 40 0 BBABHN Cn1c(N2CC[C@@H](N)C2)nc2c(c1=O)CCC2 ZINC000096516829 385252522 /nfs/dbraw/zinc/25/25/22/385252522.db2.gz KCJHOXWLMBLMFF-MRVPVSSYSA-N 0 3 234.303 -0.194 40 0 BBABHN Cc1cn2nncc2c(N2CCNCC2)n1 ZINC000096517117 385255434 /nfs/dbraw/zinc/25/54/34/385255434.db2.gz NGCFDFGIJKTMTF-UHFFFAOYSA-N 0 3 218.264 -0.158 40 0 BBABHN CS(=O)(=O)c1cc(N2CCNCC2)ncn1 ZINC000096517229 385254524 /nfs/dbraw/zinc/25/45/24/385254524.db2.gz SYMORFCLHDBUDJ-UHFFFAOYSA-N 0 3 242.304 -0.710 40 0 BBABHN NCCn1ccn(-c2ccccc2)c(=O)c1=O ZINC000096517314 385255196 /nfs/dbraw/zinc/25/51/96/385255196.db2.gz FMVWMJMWBBECFD-UHFFFAOYSA-N 0 3 231.255 -0.042 40 0 BBABHN CC(C)(C)[C@H](N)[C@@H](CO)S(C)(=O)=O ZINC000096525132 187288582 /nfs/dbraw/zinc/28/85/82/187288582.db2.gz CXIQLJLVEWKFBJ-RNFRBKRXSA-N 0 3 209.311 -0.235 40 0 BBABHN CC(C)(C)[C@@H](N)[C@@H](CO)S(C)(=O)=O ZINC000096525134 385278115 /nfs/dbraw/zinc/27/81/15/385278115.db2.gz CXIQLJLVEWKFBJ-RQJHMYQMSA-N 0 3 209.311 -0.235 40 0 BBABHN CC(C)(C)[C@H](N)[C@H](CO)S(C)(=O)=O ZINC000096525136 188321611 /nfs/dbraw/zinc/32/16/11/188321611.db2.gz CXIQLJLVEWKFBJ-NKWVEPMBSA-N 0 3 209.311 -0.235 40 0 BBABHN CC(C)(C)[C@@H](N)[C@H](CO)S(C)(=O)=O ZINC000096525138 385278371 /nfs/dbraw/zinc/27/83/71/385278371.db2.gz CXIQLJLVEWKFBJ-BQBZGAKWSA-N 0 3 209.311 -0.235 40 0 BBABHN CCS(=O)(=O)[C@@H](CO)[C@H](N)C1CC1 ZINC000096525307 385277723 /nfs/dbraw/zinc/27/77/23/385277723.db2.gz UUCHMIZKAKLRCN-JGVFFNPUSA-N 0 3 207.295 -0.481 40 0 BBABHN CCS(=O)(=O)[C@H](CO)[C@H](N)C1CC1 ZINC000096525310 385276753 /nfs/dbraw/zinc/27/67/53/385276753.db2.gz UUCHMIZKAKLRCN-HTQZYQBOSA-N 0 3 207.295 -0.481 40 0 BBABHN CCS(=O)(=O)[C@@H](CO)[C@@H](N)C1CC1 ZINC000096525313 385278075 /nfs/dbraw/zinc/27/80/75/385278075.db2.gz UUCHMIZKAKLRCN-YUMQZZPRSA-N 0 3 207.295 -0.481 40 0 BBABHN CCS(=O)(=O)[C@H](CO)[C@@H](N)C1CC1 ZINC000096525316 385278137 /nfs/dbraw/zinc/27/81/37/385278137.db2.gz UUCHMIZKAKLRCN-SFYZADRCSA-N 0 3 207.295 -0.481 40 0 BBABHN C[C@@H]1C[C@H](CO)C[C@@]1(CN)S(C)(=O)=O ZINC000096532276 385283073 /nfs/dbraw/zinc/28/30/73/385283073.db2.gz CWPULGIDNCIZJR-VGMNWLOBSA-N 0 3 221.322 -0.233 40 0 BBABHN C[C@H]1C[C@H](CO)C[C@@]1(CN)S(C)(=O)=O ZINC000096532278 177363222 /nfs/dbraw/zinc/36/32/22/177363222.db2.gz CWPULGIDNCIZJR-CIUDSAMLSA-N 0 3 221.322 -0.233 40 0 BBABHN C[C@@H]1C[C@@H](CO)C[C@@]1(CN)S(C)(=O)=O ZINC000096532280 176370143 /nfs/dbraw/zinc/37/01/43/176370143.db2.gz CWPULGIDNCIZJR-HLTSFMKQSA-N 0 3 221.322 -0.233 40 0 BBABHN C[C@H]1C[C@@H](CO)C[C@@]1(CN)S(C)(=O)=O ZINC000096532282 177325313 /nfs/dbraw/zinc/32/53/13/177325313.db2.gz CWPULGIDNCIZJR-YIZRAAEISA-N 0 3 221.322 -0.233 40 0 BBABHN CC(C)(C)OC(=O)NC1(CO)CNC1 ZINC000098214081 386683436 /nfs/dbraw/zinc/68/34/36/386683436.db2.gz MXXKYIKWBMZZTR-UHFFFAOYSA-N 0 3 202.254 -0.155 40 0 BBABHN CC(=O)N(C)[C@H]1CC[C@H](NC(=O)CN)CC1 ZINC000100178603 384280434 /nfs/dbraw/zinc/28/04/34/384280434.db2.gz XEHURPANUISAQP-AOOOYVTPSA-N 0 3 227.308 -0.149 40 0 BBABHN CCOC(=O)C1C(=O)N2CCCC[C@@H]2[C@@H]1N ZINC000101038613 368338714 /nfs/dbraw/zinc/33/87/14/368338714.db2.gz TTYRELSLCVFSGM-VGMNWLOBSA-N 0 3 226.276 -0.112 40 0 BBABHN COC(=O)C1=C[C@H]2CN(C)CC[C@@H]2NC1=O ZINC000101304436 384669151 /nfs/dbraw/zinc/66/91/51/384669151.db2.gz JNKKUQKRQMBHEW-CBAPKCEASA-N 0 3 224.260 -0.464 40 0 BBABHN CC(=O)N1CCOC[C@]2(CNCCO2)C1 ZINC000101427038 384674036 /nfs/dbraw/zinc/67/40/36/384674036.db2.gz HZFVILOPNWKYTO-JTQLQIEISA-N 0 3 214.265 -0.776 40 0 BBABHN CC(=O)N1CCOC[C@@]2(CNCCO2)C1 ZINC000101427039 191064180 /nfs/dbraw/zinc/06/41/80/191064180.db2.gz HZFVILOPNWKYTO-SNVBAGLBSA-N 0 3 214.265 -0.776 40 0 BBABHN Nc1nc2c3c(n1)NC(=O)CC3C(=O)N2 ZINC000104279399 384817580 /nfs/dbraw/zinc/81/75/80/384817580.db2.gz WVJHSPAQJFMVET-REOHCLBHSA-N 0 3 205.177 -0.563 40 0 BBABHN CCc1cc(=O)n2nc(N3CC[C@H](N)C3)[nH]c2n1 ZINC000110755397 398300904 /nfs/dbraw/zinc/30/09/04/398300904.db2.gz MDEUFYGACUOLNB-ZETCQYMHSA-N 0 3 248.290 -0.483 40 0 BBABHN CCc1cc(=O)n2nc(N3CC[C@H]([NH3+])C3)[n-]c2n1 ZINC000110755397 398300902 /nfs/dbraw/zinc/30/09/02/398300902.db2.gz MDEUFYGACUOLNB-ZETCQYMHSA-N 0 3 248.290 -0.483 40 0 BBABHN CCc1cc(=O)n2nc(N3CC[C@@H](N)C3)[nH]c2n1 ZINC000110755401 398300784 /nfs/dbraw/zinc/30/07/84/398300784.db2.gz MDEUFYGACUOLNB-SSDOTTSWSA-N 0 3 248.290 -0.483 40 0 BBABHN CCc1cc(=O)n2nc(N3CC[C@@H]([NH3+])C3)[n-]c2n1 ZINC000110755401 398300781 /nfs/dbraw/zinc/30/07/81/398300781.db2.gz MDEUFYGACUOLNB-SSDOTTSWSA-N 0 3 248.290 -0.483 40 0 BBABHN COC(=O)c1cnn2c1[nH]c1c(c2=O)CNCC1 ZINC000110756217 398300836 /nfs/dbraw/zinc/30/08/36/398300836.db2.gz BSWFRPYJIQRMQM-UHFFFAOYSA-N 0 3 248.242 -0.545 40 0 BBABHN C[C@@H]1C[C@@H](CO)C[C@]1(CN)S(C)(=O)=O ZINC000110770615 369978177 /nfs/dbraw/zinc/97/81/77/369978177.db2.gz CWPULGIDNCIZJR-IWSPIJDZSA-N 0 3 221.322 -0.233 40 0 BBABHN C[C@@H]1C[C@H](CO)C[C@]1(CN)S(C)(=O)=O ZINC000110770618 369978189 /nfs/dbraw/zinc/97/81/89/369978189.db2.gz CWPULGIDNCIZJR-HRDYMLBCSA-N 0 3 221.322 -0.233 40 0 BBABHN COC(=O)c1sc(N2CCNCC2)nc1N ZINC000128951436 386020556 /nfs/dbraw/zinc/02/05/56/386020556.db2.gz AEDZOGCSCWSKTH-UHFFFAOYSA-N 0 3 242.304 -0.079 40 0 BBABHN Cc1ccnc(N2CCNC(=O)C2)c1CN ZINC000135018012 388617768 /nfs/dbraw/zinc/61/77/68/388617768.db2.gz PHCUAKQCTMMCJC-UHFFFAOYSA-N 0 3 220.276 -0.215 40 0 BBABHN COC(=O)[C@@H]1CCNC[C@@H]1C(=O)OC ZINC000146310288 343197876 /nfs/dbraw/zinc/19/78/76/343197876.db2.gz XYZQKBBGEBZTND-RQJHMYQMSA-N 0 3 201.222 -0.442 40 0 BBABHN COC(=O)[C@H]1CNCC[C@@H]1C(=O)OC ZINC000146310468 343197859 /nfs/dbraw/zinc/19/78/59/343197859.db2.gz XYZQKBBGEBZTND-BQBZGAKWSA-N 0 3 201.222 -0.442 40 0 BBABHN COC(=O)[C@@H]1CCNC[C@H]1C(=O)OC ZINC000146310686 345295211 /nfs/dbraw/zinc/29/52/11/345295211.db2.gz XYZQKBBGEBZTND-RNFRBKRXSA-N 0 3 201.222 -0.442 40 0 BBABHN COC(=O)[C@H]1CCNC[C@H]1C(=O)OC ZINC000146310882 343197940 /nfs/dbraw/zinc/19/79/40/343197940.db2.gz XYZQKBBGEBZTND-NKWVEPMBSA-N 0 3 201.222 -0.442 40 0 BBABHN COC[C@@H]1CC(F)(F)CN1C(=O)CN ZINC000147382938 358430008 /nfs/dbraw/zinc/43/00/08/358430008.db2.gz BUSJQHHZQPCELS-LURJTMIESA-N 0 3 208.208 -0.172 40 0 BBABHN CN1CCC(N2CCN(CCO)CC2)CC1 ZINC000149993912 358430118 /nfs/dbraw/zinc/43/01/18/358430118.db2.gz OONOSFHFLIHSTA-UHFFFAOYSA-N 0 3 227.352 -0.310 40 0 BBABHN C[C@H](N)C(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000161814735 384548142 /nfs/dbraw/zinc/54/81/42/384548142.db2.gz AZROAICSDUQCJT-CAHLUQPWSA-N 0 3 226.198 -0.141 40 0 BBABHN C[C@H](N)C(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000161814860 384550463 /nfs/dbraw/zinc/55/04/63/384550463.db2.gz AZROAICSDUQCJT-FSPLSTOPSA-N 0 3 226.198 -0.141 40 0 BBABHN C[C@@H](N)C(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000161817249 384550000 /nfs/dbraw/zinc/55/00/00/384550000.db2.gz AZROAICSDUQCJT-IYSWYEEDSA-N 0 3 226.198 -0.141 40 0 BBABHN C[C@@H](N)C(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000161817400 175796419 /nfs/dbraw/zinc/79/64/19/175796419.db2.gz AZROAICSDUQCJT-VDTYLAMSSA-N 0 3 226.198 -0.141 40 0 BBABHN CC(C)NC(=O)[C@@H](C)N1CCC[C@H](N)C1=O ZINC000162652154 167079248 /nfs/dbraw/zinc/07/92/48/167079248.db2.gz AYSMTBWUPJNPOD-BDAKNGLRSA-N 0 3 227.308 -0.151 40 0 BBABHN CC(C)NC(=O)[C@H](C)N1CCC[C@H](N)C1=O ZINC000162652277 388355328 /nfs/dbraw/zinc/35/53/28/388355328.db2.gz AYSMTBWUPJNPOD-IUCAKERBSA-N 0 3 227.308 -0.151 40 0 BBABHN CC(C)NC(=O)[C@@H](C)N1CCC[C@@H](N)C1=O ZINC000162652395 167078508 /nfs/dbraw/zinc/07/85/08/167078508.db2.gz AYSMTBWUPJNPOD-RKDXNWHRSA-N 0 3 227.308 -0.151 40 0 BBABHN CC(C)NC(=O)[C@H](C)N1CCC[C@@H](N)C1=O ZINC000162652535 388355336 /nfs/dbraw/zinc/35/53/36/388355336.db2.gz AYSMTBWUPJNPOD-DTWKUNHWSA-N 0 3 227.308 -0.151 40 0 BBABHN C[C@@H](C(=O)NC1CC1)N1CCC[C@H](N)C1=O ZINC000162653612 388354855 /nfs/dbraw/zinc/35/48/55/388354855.db2.gz OIXIFKKCZZPZCD-CBAPKCEASA-N 0 3 225.292 -0.397 40 0 BBABHN C[C@H](C(=O)NC1CC1)N1CCC[C@H](N)C1=O ZINC000162653729 388355677 /nfs/dbraw/zinc/35/56/77/388355677.db2.gz OIXIFKKCZZPZCD-APPZFPTMSA-N 0 3 225.292 -0.397 40 0 BBABHN C[C@@H](C(=O)NC1CC1)N1CCC[C@@H](N)C1=O ZINC000162653850 388620057 /nfs/dbraw/zinc/62/00/57/388620057.db2.gz OIXIFKKCZZPZCD-IONNQARKSA-N 0 3 225.292 -0.397 40 0 BBABHN C[C@H](C(=O)NC1CC1)N1CCC[C@@H](N)C1=O ZINC000162653967 388354937 /nfs/dbraw/zinc/35/49/37/388354937.db2.gz OIXIFKKCZZPZCD-VXNVDRBHSA-N 0 3 225.292 -0.397 40 0 BBABHN O=C([C@H]1CCCCN1)N1CC[C@H](CO)C1 ZINC000163781226 361576420 /nfs/dbraw/zinc/57/64/20/361576420.db2.gz WLPRZARHHLFKRZ-VHSXEESVSA-N 0 3 212.293 -0.031 40 0 BBABHN O=C([C@H]1CCCCN1)N1CC[C@@H](CO)C1 ZINC000163781351 361576476 /nfs/dbraw/zinc/57/64/76/361576476.db2.gz WLPRZARHHLFKRZ-NXEZZACHSA-N 0 3 212.293 -0.031 40 0 BBABHN O=C([C@@H]1CCCCN1)N1CC[C@H](CO)C1 ZINC000163781462 345776672 /nfs/dbraw/zinc/77/66/72/345776672.db2.gz WLPRZARHHLFKRZ-UWVGGRQHSA-N 0 3 212.293 -0.031 40 0 BBABHN O=C([C@@H]1CCCCN1)N1CC[C@@H](CO)C1 ZINC000163781570 345776725 /nfs/dbraw/zinc/77/67/25/345776725.db2.gz WLPRZARHHLFKRZ-ZJUUUORDSA-N 0 3 212.293 -0.031 40 0 BBABHN C[C@H](N)C(=O)N1CCN(CC(F)F)CC1 ZINC000166386102 358535262 /nfs/dbraw/zinc/53/52/62/358535262.db2.gz OIVHZFGUQLJGAV-ZETCQYMHSA-N 0 3 221.251 -0.257 40 0 BBABHN Cn1ncc(N2CC(N)C2)c(Cl)c1=O ZINC000167920213 356475591 /nfs/dbraw/zinc/47/55/91/356475591.db2.gz YLWPYONXXPPMRA-UHFFFAOYSA-N 0 3 214.656 -0.419 40 0 BBABHN CCCCN(C)C(=O)Cn1cc(CN)nn1 ZINC000169049316 346751910 /nfs/dbraw/zinc/75/19/10/346751910.db2.gz AHVNTHBRNZLMPZ-UHFFFAOYSA-N 0 3 225.296 -0.005 40 0 BBABHN O=C([C@H]1C[C@H](F)CN1)N1CCOCC1 ZINC000169074220 385405343 /nfs/dbraw/zinc/40/53/43/385405343.db2.gz HPMUTOXSDYPWBA-JGVFFNPUSA-N 0 3 202.229 -0.455 40 0 BBABHN CCCCCNC(=O)C(=O)NCCN(C)C ZINC000170378397 384510612 /nfs/dbraw/zinc/51/06/12/384510612.db2.gz DIIWDFDFYWNNEJ-UHFFFAOYSA-N 0 3 229.324 -0.029 40 0 BBABHN CC(C)n1cnc(S(=O)(=O)NC2CNC2)c1 ZINC000183160165 345938074 /nfs/dbraw/zinc/93/80/74/345938074.db2.gz VTDWOIKDTLQXHG-UHFFFAOYSA-N 0 3 244.320 -0.286 40 0 BBABHN Nc1nc2c(c(N3CCNCC3)n1)CCC2 ZINC000196395310 132302372 /nfs/dbraw/zinc/30/23/72/132302372.db2.gz FSVSVDXMTPKGKX-UHFFFAOYSA-N 0 3 219.292 -0.043 40 0 BBABHN CN(C)c1ccnc(N2CCNCC2)n1 ZINC000200276901 343792124 /nfs/dbraw/zinc/79/21/24/343792124.db2.gz JIRWPDQNYAWTMZ-UHFFFAOYSA-N 0 3 207.281 -0.048 40 0 BBABHN C[C@H](N)C(=O)N1CCN(CCF)CC1 ZINC000203236563 343791730 /nfs/dbraw/zinc/79/17/30/343791730.db2.gz GZNVDRQSOFMAAU-QMMMGPOBSA-N 0 3 203.261 -0.553 40 0 BBABHN C[C@@H](N)C(=O)N1CCN(CCF)CC1 ZINC000203236572 343792049 /nfs/dbraw/zinc/79/20/49/343792049.db2.gz GZNVDRQSOFMAAU-MRVPVSSYSA-N 0 3 203.261 -0.553 40 0 BBABHN CN1CCO[C@@](C)(C(=O)N2CCCNCC2)C1 ZINC000205680371 368356845 /nfs/dbraw/zinc/35/68/45/368356845.db2.gz GHYOHUZPOVJALO-GFCCVEGCSA-N 0 3 241.335 -0.471 40 0 BBABHN CN1CCO[C@](C)(C(=O)N2CCCNCC2)C1 ZINC000205680392 368356555 /nfs/dbraw/zinc/35/65/55/368356555.db2.gz GHYOHUZPOVJALO-LBPRGKRZSA-N 0 3 241.335 -0.471 40 0 BBABHN CN1CCN(Cc2cccnc2)C[C@H](C(N)=O)C1 ZINC000205682637 368356504 /nfs/dbraw/zinc/35/65/04/368356504.db2.gz CDHNVAJLVJEMAU-GFCCVEGCSA-N 0 3 248.330 -0.070 40 0 BBABHN CN(C)[C@@H]1CN(C(=O)C2CCOCC2)C[C@H]1O ZINC000205683384 347454088 /nfs/dbraw/zinc/45/40/88/347454088.db2.gz WISWGHFYHFVEOQ-GHMZBOCLSA-N 0 3 242.319 -0.454 40 0 BBABHN CN(C)[C@@H]1CN(C(=O)Cc2cccnc2)C[C@H]1O ZINC000205686151 368358813 /nfs/dbraw/zinc/35/88/13/368358813.db2.gz NADOYLNERJNGIW-VXGBXAGGSA-N 0 3 249.314 -0.243 40 0 BBABHN CNCC(=O)N1CCOC[C@H]1c1nc(C)c[nH]1 ZINC000205691019 348575998 /nfs/dbraw/zinc/57/59/98/348575998.db2.gz HIIDYFNSDKPTTP-VIFPVBQESA-N 0 3 238.291 -0.163 40 0 BBABHN CNCC(=O)N1CCOC[C@@H]1c1nc(C)c[nH]1 ZINC000205691035 368358638 /nfs/dbraw/zinc/35/86/38/368358638.db2.gz HIIDYFNSDKPTTP-SECBINFHSA-N 0 3 238.291 -0.163 40 0 BBABHN Cc1cn[nH]c1[C@@H]1CCN(C(=O)CN)C1 ZINC000205691169 348576160 /nfs/dbraw/zinc/57/61/60/348576160.db2.gz AAHBNBLNTBWPCR-MRVPVSSYSA-N 0 3 208.265 -0.007 40 0 BBABHN Cc1c[nH]nc1[C@@H]1CCN(C(=O)CN)C1 ZINC000205691169 348576158 /nfs/dbraw/zinc/57/61/58/348576158.db2.gz AAHBNBLNTBWPCR-MRVPVSSYSA-N 0 3 208.265 -0.007 40 0 BBABHN Cc1cn[nH]c1[C@H]1CCN(C(=O)CN)C1 ZINC000205691188 368358264 /nfs/dbraw/zinc/35/82/64/368358264.db2.gz AAHBNBLNTBWPCR-QMMMGPOBSA-N 0 3 208.265 -0.007 40 0 BBABHN Cc1c[nH]nc1[C@H]1CCN(C(=O)CN)C1 ZINC000205691188 368358258 /nfs/dbraw/zinc/35/82/58/368358258.db2.gz AAHBNBLNTBWPCR-QMMMGPOBSA-N 0 3 208.265 -0.007 40 0 BBABHN CS(=O)(=O)N1CC[C@](O)(CN2CCCC2)C1 ZINC000205691245 368358717 /nfs/dbraw/zinc/35/87/17/368358717.db2.gz YPCADYSBUQFJMW-JTQLQIEISA-N 0 3 248.348 -0.521 40 0 BBABHN CS(=O)(=O)N1CC[C@@](O)(CN2CCCC2)C1 ZINC000205691266 368357569 /nfs/dbraw/zinc/35/75/69/368357569.db2.gz YPCADYSBUQFJMW-SNVBAGLBSA-N 0 3 248.348 -0.521 40 0 BBABHN COC[C@H]1CC(F)(F)CN1C(=O)CN ZINC000213022351 360004831 /nfs/dbraw/zinc/00/48/31/360004831.db2.gz BUSJQHHZQPCELS-ZCFIWIBFSA-N 0 3 208.208 -0.172 40 0 BBABHN COC(=O)c1cn(C)c(=O)cc1OC1CNC1 ZINC000215682172 385848631 /nfs/dbraw/zinc/84/86/31/385848631.db2.gz UOAASEOHAABMTE-UHFFFAOYSA-N 0 3 238.243 -0.478 40 0 BBABHN COCCNC(=O)[C@@H](C)N1CCC[C@@H](N)C1=O ZINC000216612760 174325942 /nfs/dbraw/zinc/32/59/42/174325942.db2.gz ONKORSLEEOEEMB-RKDXNWHRSA-N 0 3 243.307 -0.913 40 0 BBABHN COCCNC(=O)[C@H](C)N1CCC[C@@H](N)C1=O ZINC000216612812 174326727 /nfs/dbraw/zinc/32/67/27/174326727.db2.gz ONKORSLEEOEEMB-DTWKUNHWSA-N 0 3 243.307 -0.913 40 0 BBABHN COCCNC(=O)[C@@H](C)N1CCC[C@H](N)C1=O ZINC000216612855 174325272 /nfs/dbraw/zinc/32/52/72/174325272.db2.gz ONKORSLEEOEEMB-BDAKNGLRSA-N 0 3 243.307 -0.913 40 0 BBABHN COCCNC(=O)[C@H](C)N1CCC[C@H](N)C1=O ZINC000216612911 174327087 /nfs/dbraw/zinc/32/70/87/174327087.db2.gz ONKORSLEEOEEMB-IUCAKERBSA-N 0 3 243.307 -0.913 40 0 BBABHN NCc1cnccc1N1CCNC(=O)C1 ZINC000217732325 388379754 /nfs/dbraw/zinc/37/97/54/388379754.db2.gz JOYKMBZREJMNGY-UHFFFAOYSA-N 0 3 206.249 -0.524 40 0 BBABHN CS(=O)(=O)C1C(=O)N2CCCC[C@@H]12 ZINC000217735676 388379746 /nfs/dbraw/zinc/37/97/46/388379746.db2.gz YUQNXPFUPYMSCG-NKWVEPMBSA-N 0 3 203.263 -0.206 40 0 BBABHN CS(=O)(=O)C1C(=O)N2CCCC[C@@H]12 ZINC000217735768 388379984 /nfs/dbraw/zinc/37/99/84/388379984.db2.gz YUQNXPFUPYMSCG-BQBZGAKWSA-N 0 3 203.263 -0.206 40 0 BBABHN CS(=O)(=O)C1C(=O)N2CCCC[C@H]12 ZINC000217735856 388380322 /nfs/dbraw/zinc/38/03/22/388380322.db2.gz YUQNXPFUPYMSCG-RNFRBKRXSA-N 0 3 203.263 -0.206 40 0 BBABHN CS(=O)(=O)C1C(=O)N2CCCC[C@H]12 ZINC000217735933 388379760 /nfs/dbraw/zinc/37/97/60/388379760.db2.gz YUQNXPFUPYMSCG-RQJHMYQMSA-N 0 3 203.263 -0.206 40 0 BBABHN CCS(=O)(=O)C1(CO)CCNCC1 ZINC000217929598 388383632 /nfs/dbraw/zinc/38/36/32/388383632.db2.gz FOOGGESWXZFFAY-UHFFFAOYSA-N 0 3 207.295 -0.464 40 0 BBABHN CCOC(=O)[C@@]1(CN)C[C@@H]1S(C)(=O)=O ZINC000217957164 170263166 /nfs/dbraw/zinc/26/31/66/170263166.db2.gz MLOUEBYQBIPNCD-POYBYMJQSA-N 0 3 221.278 -0.689 40 0 BBABHN CCOC(=O)[C@]1(CN)C[C@@H]1S(C)(=O)=O ZINC000217957252 170286069 /nfs/dbraw/zinc/28/60/69/170286069.db2.gz MLOUEBYQBIPNCD-XPUUQOCRSA-N 0 3 221.278 -0.689 40 0 BBABHN CCOC(=O)[C@@]1(CN)C[C@H]1S(C)(=O)=O ZINC000217957329 170263589 /nfs/dbraw/zinc/26/35/89/170263589.db2.gz MLOUEBYQBIPNCD-HTRCEHHLSA-N 0 3 221.278 -0.689 40 0 BBABHN CCOC(=O)[C@]1(CN)C[C@H]1S(C)(=O)=O ZINC000217957395 170285933 /nfs/dbraw/zinc/28/59/33/170285933.db2.gz MLOUEBYQBIPNCD-SVRRBLITSA-N 0 3 221.278 -0.689 40 0 BBABHN CCOC[C@@]1(CN)C[C@@H]1S(C)(=O)=O ZINC000217959803 388383960 /nfs/dbraw/zinc/38/39/60/388383960.db2.gz ORCOTBQFCYLJDL-YUMQZZPRSA-N 0 3 207.295 -0.215 40 0 BBABHN CCOC[C@]1(CN)C[C@@H]1S(C)(=O)=O ZINC000217959863 388384046 /nfs/dbraw/zinc/38/40/46/388384046.db2.gz ORCOTBQFCYLJDL-JGVFFNPUSA-N 0 3 207.295 -0.215 40 0 BBABHN CCOC[C@@]1(CN)C[C@H]1S(C)(=O)=O ZINC000217959931 388384071 /nfs/dbraw/zinc/38/40/71/388384071.db2.gz ORCOTBQFCYLJDL-SFYZADRCSA-N 0 3 207.295 -0.215 40 0 BBABHN CCOC[C@]1(CN)C[C@H]1S(C)(=O)=O ZINC000217959998 387327173 /nfs/dbraw/zinc/32/71/73/387327173.db2.gz ORCOTBQFCYLJDL-HTQZYQBOSA-N 0 3 207.295 -0.215 40 0 BBABHN CCOC(=O)[C@@]1(CN)C[C@@H]1S(=O)(=O)CC ZINC000217966578 170262978 /nfs/dbraw/zinc/26/29/78/170262978.db2.gz OMPZLQXYALBQNL-IONNQARKSA-N 0 3 235.305 -0.298 40 0 BBABHN CCOC(=O)[C@]1(CN)C[C@@H]1S(=O)(=O)CC ZINC000217966646 170286192 /nfs/dbraw/zinc/28/61/92/170286192.db2.gz OMPZLQXYALBQNL-CBAPKCEASA-N 0 3 235.305 -0.298 40 0 BBABHN CCOC(=O)[C@@]1(CN)C[C@H]1S(=O)(=O)CC ZINC000217966728 170263027 /nfs/dbraw/zinc/26/30/27/170263027.db2.gz OMPZLQXYALBQNL-VXNVDRBHSA-N 0 3 235.305 -0.298 40 0 BBABHN CCOC(=O)[C@]1(CN)C[C@H]1S(=O)(=O)CC ZINC000217966796 170285587 /nfs/dbraw/zinc/28/55/87/170285587.db2.gz OMPZLQXYALBQNL-APPZFPTMSA-N 0 3 235.305 -0.298 40 0 BBABHN CCS(=O)(=O)[C@@H]1C[C@@]1(CN)COC ZINC000217968904 387367005 /nfs/dbraw/zinc/36/70/05/387367005.db2.gz ABFUJEZMKDEVDK-HTQZYQBOSA-N 0 3 207.295 -0.215 40 0 BBABHN CCS(=O)(=O)[C@H]1C[C@@]1(CN)COC ZINC000217968991 388383784 /nfs/dbraw/zinc/38/37/84/388383784.db2.gz ABFUJEZMKDEVDK-JGVFFNPUSA-N 0 3 207.295 -0.215 40 0 BBABHN CCS(=O)(=O)[C@@H]1C[C@]1(CN)COC ZINC000217969081 388575153 /nfs/dbraw/zinc/57/51/53/388575153.db2.gz ABFUJEZMKDEVDK-SFYZADRCSA-N 0 3 207.295 -0.215 40 0 BBABHN CCS(=O)(=O)[C@H]1C[C@]1(CN)COC ZINC000217969163 388384406 /nfs/dbraw/zinc/38/44/06/388384406.db2.gz ABFUJEZMKDEVDK-YUMQZZPRSA-N 0 3 207.295 -0.215 40 0 BBABHN NC[C@@]1(N)C[C@@H]1S(=O)(=O)c1ccccc1 ZINC000217977586 388385111 /nfs/dbraw/zinc/38/51/11/388385111.db2.gz LFUWLDNBKLLOFI-UWVGGRQHSA-N 0 3 226.301 -0.111 40 0 BBABHN NC[C@]1(N)C[C@@H]1S(=O)(=O)c1ccccc1 ZINC000217977670 388384953 /nfs/dbraw/zinc/38/49/53/388384953.db2.gz LFUWLDNBKLLOFI-VHSXEESVSA-N 0 3 226.301 -0.111 40 0 BBABHN NC[C@@]1(N)C[C@H]1S(=O)(=O)c1ccccc1 ZINC000217977749 388385153 /nfs/dbraw/zinc/38/51/53/388385153.db2.gz LFUWLDNBKLLOFI-ZJUUUORDSA-N 0 3 226.301 -0.111 40 0 BBABHN NC[C@]1(N)C[C@H]1S(=O)(=O)c1ccccc1 ZINC000217977834 388385164 /nfs/dbraw/zinc/38/51/64/388385164.db2.gz LFUWLDNBKLLOFI-NXEZZACHSA-N 0 3 226.301 -0.111 40 0 BBABHN CS(=O)(=O)[C@@H]1[C@@H](c2ccccc2)[C@@]1(N)CN ZINC000218012404 388385741 /nfs/dbraw/zinc/38/57/41/388385741.db2.gz RDVOTHDNGVILFN-MXWKQRLJSA-N 0 3 240.328 -0.147 40 0 BBABHN CS(=O)(=O)[C@H]1[C@@H](c2ccccc2)[C@@]1(N)CN ZINC000218012488 388385562 /nfs/dbraw/zinc/38/55/62/388385562.db2.gz RDVOTHDNGVILFN-VWYCJHECSA-N 0 3 240.328 -0.147 40 0 BBABHN CS(=O)(=O)[C@@H]1[C@H](c2ccccc2)[C@@]1(N)CN ZINC000218012566 388576251 /nfs/dbraw/zinc/57/62/51/388576251.db2.gz RDVOTHDNGVILFN-AXFHLTTASA-N 0 3 240.328 -0.147 40 0 BBABHN CS(=O)(=O)[C@H]1[C@H](c2ccccc2)[C@@]1(N)CN ZINC000218012653 388385880 /nfs/dbraw/zinc/38/58/80/388385880.db2.gz RDVOTHDNGVILFN-DCAQKATOSA-N 0 3 240.328 -0.147 40 0 BBABHN CCS(=O)(=O)NC[C@@H]1CC(CN)=NO1 ZINC000222550382 386053471 /nfs/dbraw/zinc/05/34/71/386053471.db2.gz RPEQZGLZZPZSSA-ZETCQYMHSA-N 0 3 221.282 -0.971 40 0 BBABHN CCS(=O)(=O)NC[C@H]1CC(CN)=NO1 ZINC000222550450 386051870 /nfs/dbraw/zinc/05/18/70/386051870.db2.gz RPEQZGLZZPZSSA-SSDOTTSWSA-N 0 3 221.282 -0.971 40 0 BBABHN C[C@@H](O)C1CCN(C(=O)[C@H](C)N)CC1 ZINC000225414445 343793128 /nfs/dbraw/zinc/79/31/28/343793128.db2.gz SRZBFAQGICAWOM-JGVFFNPUSA-N 0 3 200.282 -0.047 40 0 BBABHN C[C@H](N)C(=O)N1CCC([C@H](C)O)CC1 ZINC000225414487 350362162 /nfs/dbraw/zinc/36/21/62/350362162.db2.gz SRZBFAQGICAWOM-YUMQZZPRSA-N 0 3 200.282 -0.047 40 0 BBABHN C[C@@H](N)C(=O)N1CCC([C@@H](C)O)CC1 ZINC000225415109 343793207 /nfs/dbraw/zinc/79/32/07/343793207.db2.gz SRZBFAQGICAWOM-HTQZYQBOSA-N 0 3 200.282 -0.047 40 0 BBABHN C[C@@H](N)C(=O)N1CCC([C@H](C)O)CC1 ZINC000225415487 343793218 /nfs/dbraw/zinc/79/32/18/343793218.db2.gz SRZBFAQGICAWOM-SFYZADRCSA-N 0 3 200.282 -0.047 40 0 BBABHN NS(=O)(=O)c1cccc(CNCCO)c1 ZINC000225769899 527321194 /nfs/dbraw/zinc/32/11/94/527321194.db2.gz VYCORYGFUMIQCT-UHFFFAOYSA-N 0 3 230.289 -0.584 40 0 BBABHN c1c2c(nnc1N1CCOCC1)CCNC2 ZINC000229011651 526401300 /nfs/dbraw/zinc/40/13/00/526401300.db2.gz YZQFCRZRFBWOLS-UHFFFAOYSA-N 0 3 220.276 -0.041 40 0 BBABHN CCn1nc(C(=O)NCCN(C)C)cc1N ZINC000230448594 348312986 /nfs/dbraw/zinc/31/29/86/348312986.db2.gz JXHRRFCRTAKNBR-UHFFFAOYSA-N 0 3 225.296 -0.223 40 0 BBABHN CCOC(=O)[C@@H]1CNCCC12OCCO2 ZINC000230478031 491084037 /nfs/dbraw/zinc/08/40/37/491084037.db2.gz BGCRZJNORVDZFM-QMMMGPOBSA-N 0 3 215.249 -0.098 40 0 BBABHN CCOC(=O)[C@H]1CNCCC12OCCO2 ZINC000230478076 491084094 /nfs/dbraw/zinc/08/40/94/491084094.db2.gz BGCRZJNORVDZFM-MRVPVSSYSA-N 0 3 215.249 -0.098 40 0 BBABHN O=C([C@H]1C[C@@H](F)CN1)N1CCOCC1 ZINC000230574205 350604598 /nfs/dbraw/zinc/60/45/98/350604598.db2.gz HPMUTOXSDYPWBA-HTQZYQBOSA-N 0 3 202.229 -0.455 40 0 BBABHN CNCC(=O)N1C[C@@H](OC)[C@@H](OC)C1 ZINC000234371758 343794709 /nfs/dbraw/zinc/79/47/09/343794709.db2.gz FJLWISLYYWWRDP-OCAPTIKFSA-N 0 3 202.254 -0.922 40 0 BBABHN CNCC(=O)N1C[C@@H](OC)[C@H](OC)C1 ZINC000234371766 343794886 /nfs/dbraw/zinc/79/48/86/343794886.db2.gz FJLWISLYYWWRDP-HTQZYQBOSA-N 0 3 202.254 -0.922 40 0 BBABHN CNCC(=O)N1C[C@H](OC)[C@@H](OC)C1 ZINC000234371953 343795115 /nfs/dbraw/zinc/79/51/15/343795115.db2.gz FJLWISLYYWWRDP-YUMQZZPRSA-N 0 3 202.254 -0.922 40 0 BBABHN CO[C@@H]1CN(C(=O)[C@@H](C)N)C[C@@H]1OC ZINC000234775755 343794688 /nfs/dbraw/zinc/79/46/88/343794688.db2.gz QPGCDSXMFQYOGO-PRJMDXOYSA-N 0 3 202.254 -0.794 40 0 BBABHN CO[C@@H]1CN(C(=O)[C@@H](C)N)C[C@H]1OC ZINC000234775795 343795106 /nfs/dbraw/zinc/79/51/06/343795106.db2.gz QPGCDSXMFQYOGO-BWZBUEFSSA-N 0 3 202.254 -0.794 40 0 BBABHN CO[C@@H]1CN(C(=O)[C@H](C)N)C[C@@H]1OC ZINC000234777671 343655220 /nfs/dbraw/zinc/65/52/20/343655220.db2.gz QPGCDSXMFQYOGO-BIIVOSGPSA-N 0 3 202.254 -0.794 40 0 BBABHN CO[C@@H]1CN(C(=O)[C@H](C)N)C[C@H]1OC ZINC000234777708 343794685 /nfs/dbraw/zinc/79/46/85/343794685.db2.gz QPGCDSXMFQYOGO-XLPZGREQSA-N 0 3 202.254 -0.794 40 0 BBABHN CNC(=O)c1cc2c(nc1N)CCNC2 ZINC000238349803 173310185 /nfs/dbraw/zinc/31/01/85/173310185.db2.gz XCVCMZXQKMKHCO-UHFFFAOYSA-N 0 3 206.249 -0.331 40 0 BBABHN O=C([C@@H]1C[C@@H](F)CN1)N1CCOCC1 ZINC000238852880 526497172 /nfs/dbraw/zinc/49/71/72/526497172.db2.gz HPMUTOXSDYPWBA-SFYZADRCSA-N 0 3 202.229 -0.455 40 0 BBABHN CS(=O)(=O)[C@@H]1[C@@H](c2ccccc2)[C@]1(N)CN ZINC000242648701 387026581 /nfs/dbraw/zinc/02/65/81/387026581.db2.gz RDVOTHDNGVILFN-GMTAPVOTSA-N 0 3 240.328 -0.147 40 0 BBABHN CS(=O)(=O)[C@@H]1[C@H](c2ccccc2)[C@]1(N)CN ZINC000242648703 387026888 /nfs/dbraw/zinc/02/68/88/387026888.db2.gz RDVOTHDNGVILFN-HBNTYKKESA-N 0 3 240.328 -0.147 40 0 BBABHN COC(=O)C1=C[C@H]2CN(C)CC[C@H]2NC1=O ZINC000245204929 386588762 /nfs/dbraw/zinc/58/87/62/386588762.db2.gz JNKKUQKRQMBHEW-IONNQARKSA-N 0 3 224.260 -0.464 40 0 BBABHN CCN1CC[C@H]2NC(=O)C(C(=O)OC)=C[C@H]2C1 ZINC000245224386 170023718 /nfs/dbraw/zinc/02/37/18/170023718.db2.gz VQQNLUPBOMCKGQ-WCBMZHEXSA-N 0 3 238.287 -0.074 40 0 BBABHN CCN1CC[C@@H]2NC(=O)C(C(=O)OC)=C[C@H]2C1 ZINC000245224387 170013678 /nfs/dbraw/zinc/01/36/78/170013678.db2.gz VQQNLUPBOMCKGQ-WPRPVWTQSA-N 0 3 238.287 -0.074 40 0 BBABHN CC[C@H](C)[C@@H](N)C(=O)N[C@H](C)C(N)=O ZINC000245377151 521839208 /nfs/dbraw/zinc/83/92/08/521839208.db2.gz HIXZNVCQXQTOSJ-RRKCRQDMSA-N 0 3 201.270 -0.650 40 0 BBABHN CN(C)C(=O)CO[C@@H]1CCOC2(CNC2)C1 ZINC000247956111 172372957 /nfs/dbraw/zinc/37/29/57/172372957.db2.gz CYTHQNXVTHEJIW-SECBINFHSA-N 0 3 228.292 -0.388 40 0 BBABHN CN(C)C(=O)CO[C@H]1CCOC2(CNC2)C1 ZINC000247956113 172372304 /nfs/dbraw/zinc/37/23/04/172372304.db2.gz CYTHQNXVTHEJIW-VIFPVBQESA-N 0 3 228.292 -0.388 40 0 BBABHN CN1C[C@H]2C[C@@H](C(=O)N3CCOCC3)[C@@H](C1)O2 ZINC000248088102 173200445 /nfs/dbraw/zinc/20/04/45/173200445.db2.gz UCIKSYGCLAVFQJ-GMTAPVOTSA-N 0 3 240.303 -0.436 40 0 BBABHN CCOC(=O)C1C(=O)N2CCCC[C@@H]2[C@H]1N ZINC000248320919 170257249 /nfs/dbraw/zinc/25/72/49/170257249.db2.gz TTYRELSLCVFSGM-HRDYMLBCSA-N 0 3 226.276 -0.112 40 0 BBABHN CC(=O)N(C)[C@H]1CC[C@H](NC(=O)CN)CC1 ZINC000252518009 519450711 /nfs/dbraw/zinc/45/07/11/519450711.db2.gz XEHURPANUISAQP-MGCOHNPYSA-N 0 3 227.308 -0.149 40 0 BBABHN CCS(=O)(=O)NCC[C@@H]1CCOC12CNC2 ZINC000253488293 385679600 /nfs/dbraw/zinc/67/96/00/385679600.db2.gz ADYBZLSIBCYUGB-SECBINFHSA-N 0 3 248.348 -0.306 40 0 BBABHN CCS(=O)(=O)NCC[C@H]1CCOC12CNC2 ZINC000253488294 385678452 /nfs/dbraw/zinc/67/84/52/385678452.db2.gz ADYBZLSIBCYUGB-VIFPVBQESA-N 0 3 248.348 -0.306 40 0 BBABHN CN1CCCc2c(=O)[n-]c(N3CC[NH2+]CC3)nc21 ZINC000256050942 370636178 /nfs/dbraw/zinc/63/61/78/370636178.db2.gz HCYQZKMKFBJSAD-UHFFFAOYSA-N 0 3 249.318 -0.026 40 0 BBABHN CS(=O)(=O)c1c[n-]nc1[C@H]1CC[NH2+]C1 ZINC000257197493 398201748 /nfs/dbraw/zinc/20/17/48/398201748.db2.gz BEVPKRALRPMSSU-LURJTMIESA-N 0 3 215.278 -0.110 40 0 BBABHN CS(=O)(=O)c1c[n-]nc1[C@@H]1CC[NH2+]C1 ZINC000257197494 398201500 /nfs/dbraw/zinc/20/15/00/398201500.db2.gz BEVPKRALRPMSSU-ZCFIWIBFSA-N 0 3 215.278 -0.110 40 0 BBABHN CNCC(=O)N[C@@H]1CCC[C@@H](OC)[C@@H]1O ZINC000257200900 173331984 /nfs/dbraw/zinc/33/19/84/173331984.db2.gz AFHJYPZVFZXGMH-NQMVMOMDSA-N 0 3 216.281 -0.750 40 0 BBABHN COCC(=O)N[C@@H]1CN(C2CCCC2)C[C@H]1O ZINC000257200985 174053720 /nfs/dbraw/zinc/05/37/20/174053720.db2.gz AFQOBBRTAHYGLB-GHMZBOCLSA-N 0 3 242.319 -0.263 40 0 BBABHN C[C@@]1(O)CCNC[C@H]1n1ccc(=O)[nH]c1=O ZINC000257204204 388698520 /nfs/dbraw/zinc/69/85/20/388698520.db2.gz ATNBVCXUKLZIMD-GMSGAONNSA-N 0 3 225.248 -0.766 40 0 BBABHN O[C@@H]1[C@@H](O)C[C@@H](CNCc2ccccc2)[C@@H]1O ZINC000257205938 183246188 /nfs/dbraw/zinc/24/61/88/183246188.db2.gz BBDJKPHWGMMUIH-ZDEQEGDKSA-N 0 3 237.299 -0.121 40 0 BBABHN N[C@@H]1C[C@H](O)[C@H](O)[C@H]1N1CCc2ccccc2C1 ZINC000257207217 388697976 /nfs/dbraw/zinc/69/79/76/388697976.db2.gz BGVJHGSMVMWPIT-RFGFWPKPSA-N 0 3 248.326 -0.134 40 0 BBABHN CN1CCN(Cc2cccnc2)C[C@@H](C(N)=O)C1 ZINC000257212415 173090589 /nfs/dbraw/zinc/09/05/89/173090589.db2.gz CDHNVAJLVJEMAU-LBPRGKRZSA-N 0 3 248.330 -0.070 40 0 BBABHN CCOCC(=O)N1C[C@@H](O)[C@H](N2CCCC2)C1 ZINC000257212687 170342564 /nfs/dbraw/zinc/34/25/64/170342564.db2.gz CENRIEWTKWWFRF-GHMZBOCLSA-N 0 3 242.319 -0.310 40 0 BBABHN CN1CCN(C(=O)CC2CC2)C[C@@H](C(N)=O)C1 ZINC000257220901 173063791 /nfs/dbraw/zinc/06/37/91/173063791.db2.gz DMSLPQYOFZMEAP-JTQLQIEISA-N 0 3 239.319 -0.338 40 0 BBABHN CN1CCN(C(=O)CC2CC2)C[C@H](C(N)=O)C1 ZINC000257220902 173064506 /nfs/dbraw/zinc/06/45/06/173064506.db2.gz DMSLPQYOFZMEAP-SNVBAGLBSA-N 0 3 239.319 -0.338 40 0 BBABHN COCC(=O)N[C@@H]1CN(CC(C)(C)C)C[C@H]1O ZINC000257222529 174054789 /nfs/dbraw/zinc/05/47/89/174054789.db2.gz DTQAHDJGMSZDKA-NXEZZACHSA-N 0 3 244.335 -0.160 40 0 BBABHN NC(=O)CCN1CCC2(CC1)OCCC[C@@H]2O ZINC000257225361 181223214 /nfs/dbraw/zinc/22/32/14/181223214.db2.gz FFWSMZSIXSRZMC-JTQLQIEISA-N 0 3 242.319 -0.132 40 0 BBABHN NC(=O)CCN1CCC2(CC1)OCCC[C@H]2O ZINC000257225362 181222962 /nfs/dbraw/zinc/22/29/62/181222962.db2.gz FFWSMZSIXSRZMC-SNVBAGLBSA-N 0 3 242.319 -0.132 40 0 BBABHN NCC(=O)N[C@@H]1CCC[C@@H](n2ccnc2)[C@@H]1O ZINC000257227251 181353203 /nfs/dbraw/zinc/35/32/03/181353203.db2.gz FOHYQRYTTJDMSD-FXPVBKGRSA-N 0 3 238.291 -0.588 40 0 BBABHN CN(C)[C@@H]1CN(C(=O)C2CCC2)C[C@H]1O ZINC000257231517 385754502 /nfs/dbraw/zinc/75/45/02/385754502.db2.gz GHBWFFFSQMIQTI-NXEZZACHSA-N 0 3 212.293 -0.080 40 0 BBABHN O=c1cc(C[C@@H]2C[NH2+]CCOC2)nc[n-]1 ZINC000257239846 183256283 /nfs/dbraw/zinc/25/62/83/183256283.db2.gz HRBFFMOCAXUQCN-MRVPVSSYSA-N 0 3 209.249 -0.039 40 0 BBABHN O=c1cc(C[C@H]2C[NH2+]CCOC2)nc[n-]1 ZINC000257239847 183256887 /nfs/dbraw/zinc/25/68/87/183256887.db2.gz HRBFFMOCAXUQCN-QMMMGPOBSA-N 0 3 209.249 -0.039 40 0 BBABHN CN(C)[C@@H]1CN(C(=O)Cc2cnc[nH]2)C[C@H]1O ZINC000257256140 385758561 /nfs/dbraw/zinc/75/85/61/385758561.db2.gz KKGBPCPJXAAVJJ-NXEZZACHSA-N 0 3 238.291 -0.915 40 0 BBABHN NCC(=O)N1CC[C@@]2(CCCO2)[C@@H](O)C1 ZINC000257284892 181350368 /nfs/dbraw/zinc/35/03/68/181350368.db2.gz PETARLHGYCXWGK-WPRPVWTQSA-N 0 3 214.265 -0.913 40 0 BBABHN Cc1cn([C@@H]2CNCC[C@@]2(C)O)c(=O)[nH]c1=O ZINC000257287212 388698356 /nfs/dbraw/zinc/69/83/56/388698356.db2.gz POYZTMDKONRAHR-LDYMZIIASA-N 0 3 239.275 -0.457 40 0 BBABHN CN(C)[C@@H]1CN(C(=O)Cn2ccnc2)C[C@H]1O ZINC000257289302 385760104 /nfs/dbraw/zinc/76/01/04/385760104.db2.gz PYAKMSNESSTDLD-NXEZZACHSA-N 0 3 238.291 -0.984 40 0 BBABHN CNCC(=O)N[C@@H]1CCCC[C@@H](OC)[C@@H]1O ZINC000257290339 173331815 /nfs/dbraw/zinc/33/18/15/173331815.db2.gz QCNRVGSIBNMEDI-FXPVBKGRSA-N 0 3 230.308 -0.360 40 0 BBABHN CN(C)[C@@H]1CN(C(=O)c2cncs2)C[C@H]1O ZINC000257291705 385761030 /nfs/dbraw/zinc/76/10/30/385761030.db2.gz QIGIWBSCNVLRCB-HTQZYQBOSA-N 0 3 241.316 -0.110 40 0 BBABHN CC(=O)N[C@@H]1CN(CC2CCOCC2)C[C@H]1O ZINC000257306110 188020021 /nfs/dbraw/zinc/02/00/21/188020021.db2.gz SSYJAEBKKGEQQC-VXGBXAGGSA-N 0 3 242.319 -0.406 40 0 BBABHN CN(C)[C@@H]1CN(C(=O)c2cnn(C)c2)C[C@H]1O ZINC000257306448 385761091 /nfs/dbraw/zinc/76/10/91/385761091.db2.gz SUIBTWKEPFZJGS-NXEZZACHSA-N 0 3 238.291 -0.833 40 0 BBABHN O=c1[n-]c(=O)n([C@H]2C[NH2+]C[C@@H]2O)cc1Cl ZINC000257314234 183009141 /nfs/dbraw/zinc/00/91/41/183009141.db2.gz UVYPLILEGSMRNV-WDSKDSINSA-N 0 3 231.639 -0.893 40 0 BBABHN NCC(=O)N1CCOC[C@@H]1c1cc[nH]n1 ZINC000257318657 181350232 /nfs/dbraw/zinc/35/02/32/181350232.db2.gz VOXKCUVRWOQSGW-MRVPVSSYSA-N 0 3 210.237 -0.732 40 0 BBABHN NCC(=O)N1CCOC[C@H]1c1cc[nH]n1 ZINC000257318658 181350297 /nfs/dbraw/zinc/35/02/97/181350297.db2.gz VOXKCUVRWOQSGW-QMMMGPOBSA-N 0 3 210.237 -0.732 40 0 BBABHN COCCC(=O)N1CC[C@@](O)(CN(C)C)C1 ZINC000257320443 174125447 /nfs/dbraw/zinc/12/54/47/174125447.db2.gz VWVTWKDPYVMYAH-LLVKDONJSA-N 0 3 230.308 -0.452 40 0 BBABHN COCCC(=O)N1CC[C@](O)(CN(C)C)C1 ZINC000257320444 174126681 /nfs/dbraw/zinc/12/66/81/174126681.db2.gz VWVTWKDPYVMYAH-NSHDSACASA-N 0 3 230.308 -0.452 40 0 BBABHN NCC(=O)N1CC[C@H](O)[C@@H](n2ccnc2)CC1 ZINC000257320561 181349264 /nfs/dbraw/zinc/34/92/64/181349264.db2.gz VXJFHNCSZPQWSK-UWVGGRQHSA-N 0 3 238.291 -0.634 40 0 BBABHN CCn1ccc(NC(=O)[C@H]2CNCCN2C)n1 ZINC000257321956 172201577 /nfs/dbraw/zinc/20/15/77/172201577.db2.gz WEBLZCQWTDPFJH-SECBINFHSA-N 0 3 237.307 -0.255 40 0 BBABHN CCn1ccc(NC(=O)[C@@H]2CNCCN2C)n1 ZINC000257321957 172201561 /nfs/dbraw/zinc/20/15/61/172201561.db2.gz WEBLZCQWTDPFJH-VIFPVBQESA-N 0 3 237.307 -0.255 40 0 BBABHN CN1CCN(c2ccncn2)C[C@H](C(N)=O)C1 ZINC000257324605 173093826 /nfs/dbraw/zinc/09/38/26/173093826.db2.gz WPLDXGYXBDIZHG-SECBINFHSA-N 0 3 235.291 -0.670 40 0 BBABHN CN1CCN(c2ccncn2)C[C@@H](C(N)=O)C1 ZINC000257324606 173095827 /nfs/dbraw/zinc/09/58/27/173095827.db2.gz WPLDXGYXBDIZHG-VIFPVBQESA-N 0 3 235.291 -0.670 40 0 BBABHN CN1CCN(Cc2cnccn2)C[C@@H](C(N)=O)C1 ZINC000257326267 173090573 /nfs/dbraw/zinc/09/05/73/173090573.db2.gz WWNWTNOKUOZVTB-JTQLQIEISA-N 0 3 249.318 -0.675 40 0 BBABHN CN1CCN(Cc2cnccn2)C[C@H](C(N)=O)C1 ZINC000257326268 173089517 /nfs/dbraw/zinc/08/95/17/173089517.db2.gz WWNWTNOKUOZVTB-SNVBAGLBSA-N 0 3 249.318 -0.675 40 0 BBABHN CO[C@H]1CN(CCC(N)=O)C[C@@]12CCCO2 ZINC000257328480 385763863 /nfs/dbraw/zinc/76/38/63/385763863.db2.gz XFUICFOBORCWDV-ONGXEEELSA-N 0 3 228.292 -0.258 40 0 BBABHN NCC(=O)N1CCO[C@@H](c2cccc(N)n2)C1 ZINC000257328978 181349727 /nfs/dbraw/zinc/34/97/27/181349727.db2.gz XHWVTVWUSXCHEB-SECBINFHSA-N 0 3 236.275 -0.478 40 0 BBABHN NCC(=O)N1CCO[C@H](c2cccc(N)n2)C1 ZINC000257328979 181349902 /nfs/dbraw/zinc/34/99/02/181349902.db2.gz XHWVTVWUSXCHEB-VIFPVBQESA-N 0 3 236.275 -0.478 40 0 BBABHN C[C@]1(C(N)=O)CN(C2CCOCC2)CCO1 ZINC000257337231 385763769 /nfs/dbraw/zinc/76/37/69/385763769.db2.gz YRYPMFFGIUHMQX-LLVKDONJSA-N 0 3 228.292 -0.258 40 0 BBABHN C[C@@]1(C(N)=O)CN(C2CCOCC2)CCO1 ZINC000257337232 385763635 /nfs/dbraw/zinc/76/36/35/385763635.db2.gz YRYPMFFGIUHMQX-NSHDSACASA-N 0 3 228.292 -0.258 40 0 BBABHN NC(=O)CCN1C[C@H](O)[C@]2(CCCO2)C1 ZINC000257338284 181224398 /nfs/dbraw/zinc/22/43/98/181224398.db2.gz YWSQYOPLDFAEJR-WPRPVWTQSA-N 0 3 214.265 -0.913 40 0 BBABHN CN(C)[C@@H]1CN(C(=O)Cn2cccn2)C[C@H]1O ZINC000257339316 385764249 /nfs/dbraw/zinc/76/42/49/385764249.db2.gz ZBFSUDJNDZGUFJ-NXEZZACHSA-N 0 3 238.291 -0.984 40 0 BBABHN CNC(=O)[C@H]1CN(C)CCN(c2ncccn2)C1 ZINC000257344726 173308083 /nfs/dbraw/zinc/30/80/83/173308083.db2.gz ZYLFAKAYTVLWBR-JTQLQIEISA-N 0 3 249.318 -0.409 40 0 BBABHN CNC(=O)[C@@H]1CN(C)CCN(c2ncccn2)C1 ZINC000257344727 173299750 /nfs/dbraw/zinc/29/97/50/173299750.db2.gz ZYLFAKAYTVLWBR-SNVBAGLBSA-N 0 3 249.318 -0.409 40 0 BBABHN OCCN1CCC(N2CCOCC2)CC1 ZINC000257772383 345782021 /nfs/dbraw/zinc/78/20/21/345782021.db2.gz OSYXEMIMKCVIRC-UHFFFAOYSA-N 0 3 214.309 -0.225 40 0 BBABHN NCc1cn(C2CCOCC2)c(=O)[nH]c1=O ZINC000257833919 345782989 /nfs/dbraw/zinc/78/29/89/345782989.db2.gz ACQZXSBYAHVBPM-UHFFFAOYSA-N 0 3 225.248 -0.241 40 0 BBABHN CCn1nc2c(c1CN)CS(=O)(=O)CC2 ZINC000258329206 345783993 /nfs/dbraw/zinc/78/39/93/345783993.db2.gz UNCKFCLEOACDPL-UHFFFAOYSA-N 0 3 229.305 -0.167 40 0 BBABHN Cn1nc2c(c1CN)CS(=O)(=O)CC2 ZINC000259585401 343134873 /nfs/dbraw/zinc/13/48/73/343134873.db2.gz XKVFZDFJMLPZOY-UHFFFAOYSA-N 0 3 215.278 -0.650 40 0 BBABHN COC(=O)[C@@H]1CN(CCN(C)C)CC[C@H]1O ZINC000260767847 343131572 /nfs/dbraw/zinc/13/15/72/343131572.db2.gz NTWKMGLKLGAMAH-NXEZZACHSA-N 0 3 230.308 -0.596 40 0 BBABHN COC(=O)[C@H]1CN(CCN(C)C)CC[C@@H]1O ZINC000260767851 343230550 /nfs/dbraw/zinc/23/05/50/343230550.db2.gz NTWKMGLKLGAMAH-UWVGGRQHSA-N 0 3 230.308 -0.596 40 0 BBABHN COC(=O)[C@H]1CN(CCN(C)C)CC[C@H]1O ZINC000260767855 343230504 /nfs/dbraw/zinc/23/05/04/343230504.db2.gz NTWKMGLKLGAMAH-VHSXEESVSA-N 0 3 230.308 -0.596 40 0 BBABHN COC(=O)[C@@H]1CN(CCN(C)C)CC[C@@H]1O ZINC000260770066 343230605 /nfs/dbraw/zinc/23/06/05/343230605.db2.gz NTWKMGLKLGAMAH-ZJUUUORDSA-N 0 3 230.308 -0.596 40 0 BBABHN NCC(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000261527576 135152394 /nfs/dbraw/zinc/15/23/94/135152394.db2.gz CYPOVNSNVVYCCG-LURJTMIESA-N 0 3 212.171 -0.529 40 0 BBABHN NCC(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000261527577 135151924 /nfs/dbraw/zinc/15/19/24/135151924.db2.gz CYPOVNSNVVYCCG-ZCFIWIBFSA-N 0 3 212.171 -0.529 40 0 BBABHN CNCC(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000261535662 135170604 /nfs/dbraw/zinc/17/06/04/135170604.db2.gz OYITUCICGCJXGJ-SSDOTTSWSA-N 0 3 226.198 -0.269 40 0 BBABHN CNCC(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000261535663 135170214 /nfs/dbraw/zinc/17/02/14/135170214.db2.gz OYITUCICGCJXGJ-ZETCQYMHSA-N 0 3 226.198 -0.269 40 0 BBABHN CNCC(=O)N1CCN(C2CCC2)CC1 ZINC000261541428 135181178 /nfs/dbraw/zinc/18/11/78/135181178.db2.gz FWKPJYMCDONHAO-UHFFFAOYSA-N 0 3 211.309 -0.098 40 0 BBABHN C[C@@H](N)C(=O)N1CCN(C2CCOCC2)CC1 ZINC000261866493 135258357 /nfs/dbraw/zinc/25/83/57/135258357.db2.gz QFDRCMHGOJFBHY-SNVBAGLBSA-N 0 3 241.335 -0.343 40 0 BBABHN CN(C)CCNC(=O)c1noc2c1CNCC2 ZINC000306126335 535891396 /nfs/dbraw/zinc/89/13/96/535891396.db2.gz DSYYLVHWSNGWAF-UHFFFAOYSA-N 0 3 238.291 -0.388 40 0 BBABHN CN(C)C(=O)Cn1cc2c(n1)[C@@H](CN)OCC2 ZINC000306128755 172375156 /nfs/dbraw/zinc/37/51/56/172375156.db2.gz HJTNGKUYVQEMEZ-SECBINFHSA-N 0 3 238.291 -0.456 40 0 BBABHN CN(C)C(=O)Cn1cc2c(n1)[C@H](CN)OCC2 ZINC000306128756 172375365 /nfs/dbraw/zinc/37/53/65/172375365.db2.gz HJTNGKUYVQEMEZ-VIFPVBQESA-N 0 3 238.291 -0.456 40 0 BBABHN CN(C)C(=O)CO[C@@H]1CC[C@@H]2NCCO[C@@H]12 ZINC000306131062 172372326 /nfs/dbraw/zinc/37/23/26/172372326.db2.gz JVLKAQDZSAQIAC-IQJOONFLSA-N 0 3 228.292 -0.389 40 0 BBABHN CN(C)Cc1cc(=O)n2c(n1)CNCCC2 ZINC000306133089 188046036 /nfs/dbraw/zinc/04/60/36/188046036.db2.gz MBMYNXORZCLXOT-UHFFFAOYSA-N 0 3 222.292 -0.202 40 0 BBABHN OCCOCc1ncn2c1CNCCC2 ZINC000306133168 183086571 /nfs/dbraw/zinc/08/65/71/183086571.db2.gz MDWUUOPNRKAMJL-UHFFFAOYSA-N 0 3 211.265 -0.115 40 0 BBABHN CN1CCN(C[C@H]2CNCc3nccn3C2)CC1 ZINC000306135641 173085883 /nfs/dbraw/zinc/08/58/83/173085883.db2.gz OWONZVOSINTJOT-GFCCVEGCSA-N 0 3 249.362 -0.150 40 0 BBABHN CN1CCN(C[C@@H]2CNCc3nccn3C2)CC1 ZINC000306135642 173085305 /nfs/dbraw/zinc/08/53/05/173085305.db2.gz OWONZVOSINTJOT-LBPRGKRZSA-N 0 3 249.362 -0.150 40 0 BBABHN O=C([C@H]1CNC[C@H]2OCC[C@H]21)N1CCOCC1 ZINC000306138813 385992173 /nfs/dbraw/zinc/99/21/73/385992173.db2.gz SHZQWUPOMDERFM-GARJFASQSA-N 0 3 240.303 -0.530 40 0 BBABHN O=C([C@@H]1CN[C@@H]2CCO[C@@H]2C1)N1CCCO1 ZINC000306139662 385992934 /nfs/dbraw/zinc/99/29/34/385992934.db2.gz TWTRMKPBPUZKTP-IVZWLZJFSA-N 0 3 226.276 -0.083 40 0 BBABHN CS(=O)(=O)[N-][C@@H]1C[NH2+]C[C@@H]2CCCO[C@H]12 ZINC000306139874 385992038 /nfs/dbraw/zinc/99/20/38/385992038.db2.gz UDFRFSZKJHTNRZ-YIZRAAEISA-N 0 3 234.321 -0.697 40 0 BBABHN CN(C)C(=O)NC[C@H]1CO[C@@H]2CN(C)C[C@H]12 ZINC000306140930 173200167 /nfs/dbraw/zinc/20/01/67/173200167.db2.gz VGZLMZAVEZSNLL-IVZWLZJFSA-N 0 3 227.308 -0.166 40 0 BBABHN c1nncn1Cc1nnn2c1CNCCC2 ZINC000306141241 385992469 /nfs/dbraw/zinc/99/24/69/385992469.db2.gz VPFIRDMFFONDEW-UHFFFAOYSA-N 0 3 219.252 -0.589 40 0 BBABHN CC(=O)NCc1nnn2c1CNCCC2 ZINC000306142049 385992603 /nfs/dbraw/zinc/99/26/03/385992603.db2.gz WNVGIBWGLSUKNW-UHFFFAOYSA-N 0 3 209.253 -0.593 40 0 BBABHN c1cnn(Cc2nnc3n2CCNCC3)c1 ZINC000306142066 385991399 /nfs/dbraw/zinc/99/13/99/385991399.db2.gz WOLZEUIMHDIVGD-UHFFFAOYSA-N 0 3 218.264 -0.331 40 0 BBABHN CS(=O)(=O)NCc1ncn2c1CNCCC2 ZINC000306142437 385992289 /nfs/dbraw/zinc/99/22/89/385992289.db2.gz WZHLSBSGBBWBLR-UHFFFAOYSA-N 0 3 244.320 -0.574 40 0 BBABHN COCCNC(=O)[C@@H]1CNCc2ccnn2C1 ZINC000306143347 174326533 /nfs/dbraw/zinc/32/65/33/174326533.db2.gz XZYMNPPGLNNKSC-SECBINFHSA-N 0 3 238.291 -0.635 40 0 BBABHN COCCNC(=O)[C@H]1CNCc2ccnn2C1 ZINC000306143348 174327168 /nfs/dbraw/zinc/32/71/68/174327168.db2.gz XZYMNPPGLNNKSC-VIFPVBQESA-N 0 3 238.291 -0.635 40 0 BBABHN CNC1CN(S(=O)(=O)c2cnoc2)C1 ZINC000307278780 385318839 /nfs/dbraw/zinc/31/88/39/385318839.db2.gz VKXITXSYSHNTFD-UHFFFAOYSA-N 0 3 217.250 -0.733 40 0 BBABHN O=c1[nH]cnc2nc(N3CCNCC3)ncc12 ZINC000328579341 132244029 /nfs/dbraw/zinc/24/40/29/132244029.db2.gz BQQDWRDBKYKUMA-UHFFFAOYSA-N 0 3 232.247 -0.465 40 0 BBABHN Cc1ncc2c(ncn(CCN)c2=O)n1 ZINC000328579670 180175379 /nfs/dbraw/zinc/17/53/79/180175379.db2.gz VSXIXPLIYLRJHE-UHFFFAOYSA-N 0 3 205.221 -0.546 40 0 BBABHN C[C@H](N)C(=O)N1CCN(C2CCOCC2)CC1 ZINC000353247077 343791383 /nfs/dbraw/zinc/79/13/83/343791383.db2.gz QFDRCMHGOJFBHY-JTQLQIEISA-N 0 3 241.335 -0.343 40 0 BBABHN C[C@@H](N)C(=O)N1CCN([C@@H]2CCSC2)CC1 ZINC000372100992 384502455 /nfs/dbraw/zinc/50/24/55/384502455.db2.gz HACTXPKBAXKVIL-NXEZZACHSA-N 0 3 243.376 -0.017 40 0 BBABHN C[C@H](N)C(=O)N1CCN([C@H]2CCSC2)CC1 ZINC000372100995 385325196 /nfs/dbraw/zinc/32/51/96/385325196.db2.gz HACTXPKBAXKVIL-UWVGGRQHSA-N 0 3 243.376 -0.017 40 0 BBABHN C[C@H](N)C(=O)N1CCN([C@@H]2CCSC2)CC1 ZINC000372100996 385324772 /nfs/dbraw/zinc/32/47/72/385324772.db2.gz HACTXPKBAXKVIL-VHSXEESVSA-N 0 3 243.376 -0.017 40 0 BBABHN C[C@@H](N)C(=O)N1CCN([C@H]2CCSC2)CC1 ZINC000372100997 384501823 /nfs/dbraw/zinc/50/18/23/384501823.db2.gz HACTXPKBAXKVIL-ZJUUUORDSA-N 0 3 243.376 -0.017 40 0 BBABHN NCC(=O)N1CCN([C@@H]2CCSC2)CC1 ZINC000372102776 181350395 /nfs/dbraw/zinc/35/03/95/181350395.db2.gz QOJSDPVFPKRAFX-SECBINFHSA-N 0 3 229.349 -0.405 40 0 BBABHN NCC(=O)N1CCN([C@H]2CCSC2)CC1 ZINC000372102778 181350798 /nfs/dbraw/zinc/35/07/98/181350798.db2.gz QOJSDPVFPKRAFX-VIFPVBQESA-N 0 3 229.349 -0.405 40 0 BBABHN CNCC(=O)N1CCN([C@H]2CCSC2)CC1 ZINC000372104035 173325894 /nfs/dbraw/zinc/32/58/94/173325894.db2.gz YNQWGWTWSHIMNZ-JTQLQIEISA-N 0 3 243.376 -0.145 40 0 BBABHN CNCC(=O)N1CCN([C@@H]2CCSC2)CC1 ZINC000372104038 173326123 /nfs/dbraw/zinc/32/61/23/173326123.db2.gz YNQWGWTWSHIMNZ-SNVBAGLBSA-N 0 3 243.376 -0.145 40 0 BBABHN N=C(CN1CC[C@@](O)(C(F)(F)F)C1)NO ZINC000380058800 343796215 /nfs/dbraw/zinc/79/62/15/343796215.db2.gz ZBCQCOJJDTZZGG-LURJTMIESA-N 0 3 227.186 -0.058 40 0 BBABHN N=C(CN1CC[C@](O)(C(F)(F)F)C1)NO ZINC000380058801 343795991 /nfs/dbraw/zinc/79/59/91/343795991.db2.gz ZBCQCOJJDTZZGG-ZCFIWIBFSA-N 0 3 227.186 -0.058 40 0 BBABHN CCOC(=O)c1cc2n(n1)C[C@H](O)CNC2 ZINC000380899670 384782479 /nfs/dbraw/zinc/78/24/79/384782479.db2.gz VWMCYJVTIQNXAI-MRVPVSSYSA-N 0 3 225.248 -0.476 40 0 BBABHN CCOC(=O)c1cc2n(n1)C[C@@H](O)CNC2 ZINC000380899676 384781437 /nfs/dbraw/zinc/78/14/37/384781437.db2.gz VWMCYJVTIQNXAI-QMMMGPOBSA-N 0 3 225.248 -0.476 40 0 BBABHN NCC(=O)N1CCC(O)(C(F)(F)F)CC1 ZINC000389714970 343810557 /nfs/dbraw/zinc/81/05/57/343810557.db2.gz NMENWQSXYFNAQR-UHFFFAOYSA-N 0 3 226.198 -0.139 40 0 BBABHN CO[C@@H]1CN(C(=O)[C@@H]2CCCCN2)C[C@H]1O ZINC000395961424 343810874 /nfs/dbraw/zinc/81/08/74/343810874.db2.gz KKVNMYDYBIPQJA-IVZWLZJFSA-N 0 3 228.292 -0.653 40 0 BBABHN CO[C@@H]1CN(C(=O)[C@H]2CCCCN2)C[C@H]1O ZINC000395961425 343810845 /nfs/dbraw/zinc/81/08/45/343810845.db2.gz KKVNMYDYBIPQJA-OPRDCNLKSA-N 0 3 228.292 -0.653 40 0 BBABHN CNC1CN(S(=O)(=O)c2cnn(C)c2)C1 ZINC000396992993 385329434 /nfs/dbraw/zinc/32/94/34/385329434.db2.gz FDFNWRFMQIZAAX-UHFFFAOYSA-N 0 3 230.293 -0.988 40 0 BBABHN CNC1CN(S(=O)(=O)c2cn(C)c(C)n2)C1 ZINC000396994357 385330126 /nfs/dbraw/zinc/33/01/26/385330126.db2.gz FUXFLURRWQTZBC-UHFFFAOYSA-N 0 3 244.320 -0.679 40 0 BBABHN CNC1CN(S(=O)(=O)c2c(C)n[nH]c2C)C1 ZINC000397004387 359890501 /nfs/dbraw/zinc/89/05/01/359890501.db2.gz QVRSLLFUKMJTDK-UHFFFAOYSA-N 0 3 244.320 -0.381 40 0 BBABHN CNC1CN(S(=O)(=O)c2cn(C)cn2)C1 ZINC000397007994 385330532 /nfs/dbraw/zinc/33/05/32/385330532.db2.gz UJIHRMPVKYAZCO-UHFFFAOYSA-N 0 3 230.293 -0.988 40 0 BBABHN CNC1CN(S(=O)(=O)c2c(C)noc2C)C1 ZINC000397008973 385330830 /nfs/dbraw/zinc/33/08/30/385330830.db2.gz VALXTEXUPGFGGQ-UHFFFAOYSA-N 0 3 245.304 -0.116 40 0 BBABHN CNCC(=O)N1CCC(CCO)CC1 ZINC000400996952 343811504 /nfs/dbraw/zinc/81/15/04/343811504.db2.gz CHVNJOKSPHPIEB-UHFFFAOYSA-N 0 3 200.282 -0.173 40 0 BBABHN C[C@@H](N)C(=O)N1CCC(CCO)CC1 ZINC000401056512 360425371 /nfs/dbraw/zinc/42/53/71/360425371.db2.gz HYBRQYLSFGYDRQ-MRVPVSSYSA-N 0 3 200.282 -0.045 40 0 BBABHN C[C@H](N)C(=O)N1CCC(CCO)CC1 ZINC000401056514 343811664 /nfs/dbraw/zinc/81/16/64/343811664.db2.gz HYBRQYLSFGYDRQ-QMMMGPOBSA-N 0 3 200.282 -0.045 40 0 BBABHN CNCC(=O)N1CCN(CCF)CC1 ZINC000402730532 343811551 /nfs/dbraw/zinc/81/15/51/343811551.db2.gz NQFMYTYGVDRMMK-UHFFFAOYSA-N 0 3 203.261 -0.681 40 0 BBABHN CNCC(=O)N1CCC(C)(CO)CC1 ZINC000403041993 343811578 /nfs/dbraw/zinc/81/15/78/343811578.db2.gz DWINFVSURNFSIA-UHFFFAOYSA-N 0 3 200.282 -0.173 40 0 BBABHN C[C@@H](N)C(=O)N1CCC(C)(CO)CC1 ZINC000403045821 360473636 /nfs/dbraw/zinc/47/36/36/360473636.db2.gz HHOJEQPGPHOEIT-MRVPVSSYSA-N 0 3 200.282 -0.045 40 0 BBABHN C[C@H](N)C(=O)N1CCC(C)(CO)CC1 ZINC000403045822 343811709 /nfs/dbraw/zinc/81/17/09/343811709.db2.gz HHOJEQPGPHOEIT-QMMMGPOBSA-N 0 3 200.282 -0.045 40 0 BBABHN CN(C)CCNC(=O)c1cc(N)nn1C ZINC000408715589 411908854 /nfs/dbraw/zinc/90/88/54/411908854.db2.gz BXWGZOKBFVZGJS-UHFFFAOYSA-N 0 3 211.269 -0.706 40 0 BBABHN CN(C)CCNC(=O)c1cc(N)n(C)n1 ZINC000408716612 384705052 /nfs/dbraw/zinc/70/50/52/384705052.db2.gz OVJRYIKHYWBSIW-UHFFFAOYSA-N 0 3 211.269 -0.706 40 0 BBABHN CCn1nc(N)cc1C(=O)NCCN(C)C ZINC000408716624 411904942 /nfs/dbraw/zinc/90/49/42/411904942.db2.gz OYVDJOKMNTZFIJ-UHFFFAOYSA-N 0 3 225.296 -0.223 40 0 BBABHN CCc1nnc2c(=O)n(CCN)ccn12 ZINC000409421929 350474204 /nfs/dbraw/zinc/47/42/04/350474204.db2.gz ABVCADAWORLIHN-UHFFFAOYSA-N 0 3 207.237 -0.588 40 0 BBABHN COCCCN1CC[C@@H](O)[C@H](C(=O)OC)C1 ZINC000409422162 343812916 /nfs/dbraw/zinc/81/29/16/343812916.db2.gz CGEVFJYLHUSOGF-NXEZZACHSA-N 0 3 231.292 -0.121 40 0 BBABHN COCCCN1CC[C@H](O)[C@@H](C(=O)OC)C1 ZINC000409422163 343812821 /nfs/dbraw/zinc/81/28/21/343812821.db2.gz CGEVFJYLHUSOGF-UWVGGRQHSA-N 0 3 231.292 -0.121 40 0 BBABHN COCCCN1CC[C@@H](O)[C@@H](C(=O)OC)C1 ZINC000409422164 343812830 /nfs/dbraw/zinc/81/28/30/343812830.db2.gz CGEVFJYLHUSOGF-VHSXEESVSA-N 0 3 231.292 -0.121 40 0 BBABHN COCCCN1CC[C@H](O)[C@H](C(=O)OC)C1 ZINC000409422166 343812656 /nfs/dbraw/zinc/81/26/56/343812656.db2.gz CGEVFJYLHUSOGF-ZJUUUORDSA-N 0 3 231.292 -0.121 40 0 BBABHN COc1cc(C(=O)N2CC(N)C2)ccn1 ZINC000409422253 343812835 /nfs/dbraw/zinc/81/28/35/343812835.db2.gz CGNMWIMOYUYZTP-UHFFFAOYSA-N 0 3 207.233 -0.127 40 0 BBABHN O=c1c2ccccc2nnn1C1CNC1 ZINC000409422502 343813929 /nfs/dbraw/zinc/81/39/29/343813929.db2.gz HJYIHJMYGVZCKT-UHFFFAOYSA-N 0 3 202.217 -0.064 40 0 BBABHN COCCN1CC[C@H](O)[C@H](C(=O)OC)C1 ZINC000409422701 541317506 /nfs/dbraw/zinc/31/75/06/541317506.db2.gz JUOPLGCKKBGLER-BDAKNGLRSA-N 0 3 217.265 -0.511 40 0 BBABHN COCCN1CC[C@@H](O)[C@@H](C(=O)OC)C1 ZINC000409422702 491119512 /nfs/dbraw/zinc/11/95/12/491119512.db2.gz JUOPLGCKKBGLER-DTWKUNHWSA-N 0 3 217.265 -0.511 40 0 BBABHN COCCN1CC[C@H](O)[C@@H](C(=O)OC)C1 ZINC000409422703 491119516 /nfs/dbraw/zinc/11/95/16/491119516.db2.gz JUOPLGCKKBGLER-IUCAKERBSA-N 0 3 217.265 -0.511 40 0 BBABHN COCCN1CC[C@@H](O)[C@H](C(=O)OC)C1 ZINC000409422704 491119519 /nfs/dbraw/zinc/11/95/19/491119519.db2.gz JUOPLGCKKBGLER-RKDXNWHRSA-N 0 3 217.265 -0.511 40 0 BBABHN Cc1cc(N2CCNCC2)n2cnnc2n1 ZINC000409423013 343814264 /nfs/dbraw/zinc/81/42/64/343814264.db2.gz NPWGSCXSTUQGAV-UHFFFAOYSA-N 0 3 218.264 -0.158 40 0 BBABHN Cc1nn(CC(F)F)c(=O)n1C1CNC1 ZINC000409423241 343814911 /nfs/dbraw/zinc/81/49/11/343814911.db2.gz AYMMGVDSCBGVEE-UHFFFAOYSA-N 0 3 218.207 -0.237 40 0 BBABHN CC(=O)N1CCC(Cn2cc(CN)nn2)CC1 ZINC000409423338 343815290 /nfs/dbraw/zinc/81/52/90/343815290.db2.gz BJYDBLDYZSPQGS-UHFFFAOYSA-N 0 3 237.307 -0.005 40 0 BBABHN Cn1cccc(C(=O)N2CC(N)C2)c1=O ZINC000409423423 350475073 /nfs/dbraw/zinc/47/50/73/350475073.db2.gz ODJAQWOTWZRCRR-UHFFFAOYSA-N 0 3 207.233 -0.832 40 0 BBABHN CCOC(=O)N1CC(Cn2cc(CN)nn2)C1 ZINC000409423491 398085172 /nfs/dbraw/zinc/08/51/72/398085172.db2.gz BYNCTAGODGKBIO-UHFFFAOYSA-N 0 3 239.279 -0.175 40 0 BBABHN CCOCCN1CC[C@@H](O)[C@H](C(=O)OC)C1 ZINC000409423669 343815963 /nfs/dbraw/zinc/81/59/63/343815963.db2.gz UCEXGYGHTAVCFH-NXEZZACHSA-N 0 3 231.292 -0.121 40 0 BBABHN CCOCCN1CC[C@H](O)[C@@H](C(=O)OC)C1 ZINC000409423672 343815790 /nfs/dbraw/zinc/81/57/90/343815790.db2.gz UCEXGYGHTAVCFH-UWVGGRQHSA-N 0 3 231.292 -0.121 40 0 BBABHN CCOCCN1CC[C@@H](O)[C@@H](C(=O)OC)C1 ZINC000409423673 343815851 /nfs/dbraw/zinc/81/58/51/343815851.db2.gz UCEXGYGHTAVCFH-VHSXEESVSA-N 0 3 231.292 -0.121 40 0 BBABHN CCOCCN1CC[C@H](O)[C@H](C(=O)OC)C1 ZINC000409423674 343815938 /nfs/dbraw/zinc/81/59/38/343815938.db2.gz UCEXGYGHTAVCFH-ZJUUUORDSA-N 0 3 231.292 -0.121 40 0 BBABHN C[C@H](N)C(=O)N1CCC[C@H]([C@H](C)O)C1 ZINC000409423750 343815782 /nfs/dbraw/zinc/81/57/82/343815782.db2.gz AIWHIZCWSKPXNU-CIUDSAMLSA-N 0 3 200.282 -0.047 40 0 BBABHN C[C@@H](O)[C@@H]1CCCN(C(=O)[C@H](C)N)C1 ZINC000409423757 343816349 /nfs/dbraw/zinc/81/63/49/343816349.db2.gz AIWHIZCWSKPXNU-DJLDLDEBSA-N 0 3 200.282 -0.047 40 0 BBABHN C[C@H](N)C(=O)N1CCC[C@@H]([C@H](C)O)C1 ZINC000409423761 343816324 /nfs/dbraw/zinc/81/63/24/343816324.db2.gz AIWHIZCWSKPXNU-XHNCKOQMSA-N 0 3 200.282 -0.047 40 0 BBABHN C[C@@H](O)[C@H]1CCCN(C(=O)[C@H](C)N)C1 ZINC000409423764 343816390 /nfs/dbraw/zinc/81/63/90/343816390.db2.gz AIWHIZCWSKPXNU-YIZRAAEISA-N 0 3 200.282 -0.047 40 0 BBABHN CCC(=O)N1CC(n2cc(CN)nn2)C1 ZINC000409423772 343816309 /nfs/dbraw/zinc/81/63/09/343816309.db2.gz CYDNQOLQMONYOA-UHFFFAOYSA-N 0 3 209.253 -0.470 40 0 BBABHN Cn1nc([C@@H]2CCOC2)n(C2CNC2)c1=O ZINC000409423820 343816413 /nfs/dbraw/zinc/81/64/13/343816413.db2.gz DJDDSSZOQZGKME-SSDOTTSWSA-N 0 3 224.264 -0.770 40 0 BBABHN Cn1nc([C@H]2CCOC2)n(C2CNC2)c1=O ZINC000409423824 343816446 /nfs/dbraw/zinc/81/64/46/343816446.db2.gz DJDDSSZOQZGKME-ZETCQYMHSA-N 0 3 224.264 -0.770 40 0 BBABHN CC(=O)N1CCC(C(=O)N2CC(N)C2)CC1 ZINC000409423853 350475064 /nfs/dbraw/zinc/47/50/64/350475064.db2.gz QLFUXGSVZVUSDY-UHFFFAOYSA-N 0 3 225.292 -0.586 40 0 BBABHN COc1ccc(C(=O)N2CC(N)C2)cn1 ZINC000409423967 343816886 /nfs/dbraw/zinc/81/68/86/343816886.db2.gz SAXYXAHFBBEKPJ-UHFFFAOYSA-N 0 3 207.233 -0.127 40 0 BBABHN NCc1cn(C2CN(C(=O)C3CC3)C2)nn1 ZINC000409424047 343816785 /nfs/dbraw/zinc/81/67/85/343816785.db2.gz DXMLWXIJESSWRG-UHFFFAOYSA-N 0 3 221.264 -0.470 40 0 BBABHN NCCn1ccn2nc3c(c2c1=O)CCC3 ZINC000409424068 343816884 /nfs/dbraw/zinc/81/68/84/343816884.db2.gz WZZIJUJWAVLLJF-UHFFFAOYSA-N 0 3 218.260 -0.057 40 0 BBABHN CC(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000409424220 343817371 /nfs/dbraw/zinc/81/73/71/343817371.db2.gz GABWEEDGWBFHDV-JTQLQIEISA-N 0 3 223.280 -0.080 40 0 BBABHN CC(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000409424224 343817397 /nfs/dbraw/zinc/81/73/97/343817397.db2.gz GABWEEDGWBFHDV-SNVBAGLBSA-N 0 3 223.280 -0.080 40 0 BBABHN NCCn1ncn2nc(C3CC3)cc2c1=O ZINC000409424321 385331726 /nfs/dbraw/zinc/33/17/26/385331726.db2.gz YMQSLSBEKPCBGH-UHFFFAOYSA-N 0 3 219.248 -0.273 40 0 BBABHN NCc1cn([C@H]2CCN(C(=O)C3CC3)C2)nn1 ZINC000409424476 385331458 /nfs/dbraw/zinc/33/14/58/385331458.db2.gz GOOFJDQNDWRFDL-JTQLQIEISA-N 0 3 235.291 -0.080 40 0 BBABHN NCc1cn([C@@H]2CCN(C(=O)C3CC3)C2)nn1 ZINC000409424479 385332390 /nfs/dbraw/zinc/33/23/90/385332390.db2.gz GOOFJDQNDWRFDL-SNVBAGLBSA-N 0 3 235.291 -0.080 40 0 BBABHN CCOC(=O)N1CC(n2cc(CN)nn2)C1 ZINC000409424547 385331485 /nfs/dbraw/zinc/33/14/85/385331485.db2.gz GVQFFLVMKPIQLQ-UHFFFAOYSA-N 0 3 225.252 -0.250 40 0 BBABHN Cn1nc([C@H]2CCCO2)n(C2CNC2)c1=O ZINC000409424587 385332362 /nfs/dbraw/zinc/33/23/62/385332362.db2.gz HCVIIPQXEHAVQH-MRVPVSSYSA-N 0 3 224.264 -0.422 40 0 BBABHN Cn1nc([C@@H]2CCCO2)n(C2CNC2)c1=O ZINC000409424588 385331971 /nfs/dbraw/zinc/33/19/71/385331971.db2.gz HCVIIPQXEHAVQH-QMMMGPOBSA-N 0 3 224.264 -0.422 40 0 BBABHN Cn1nc(C2CCOCC2)n(C2CNC2)c1=O ZINC000409424613 385333864 /nfs/dbraw/zinc/33/38/64/385333864.db2.gz HJRDVAHWRBVGPS-UHFFFAOYSA-N 0 3 238.291 -0.380 40 0 BBABHN CC(=O)N1CCC(n2cc(CN)nn2)CC1 ZINC000409424646 385333297 /nfs/dbraw/zinc/33/32/97/385333297.db2.gz XFSAVNDJLWICKJ-UHFFFAOYSA-N 0 3 223.280 -0.080 40 0 BBABHN CCc1nn([C@@H]2CCOC2)c(=O)n1C1CNC1 ZINC000409425062 343818247 /nfs/dbraw/zinc/81/82/47/343818247.db2.gz JHTWNADDPWETQO-MRVPVSSYSA-N 0 3 238.291 -0.287 40 0 BBABHN CCc1nn([C@H]2CCOC2)c(=O)n1C1CNC1 ZINC000409425065 343818177 /nfs/dbraw/zinc/81/81/77/343818177.db2.gz JHTWNADDPWETQO-QMMMGPOBSA-N 0 3 238.291 -0.287 40 0 BBABHN CC[C@@H]1CN(C(=O)CNC)CC[C@@H]1O ZINC000409425199 343818792 /nfs/dbraw/zinc/81/87/92/343818792.db2.gz AAVVFXDTAXYLBY-BDAKNGLRSA-N 0 3 200.282 -0.175 40 0 BBABHN CC[C@H]1CN(C(=O)CNC)CC[C@H]1O ZINC000409425200 343818738 /nfs/dbraw/zinc/81/87/38/343818738.db2.gz AAVVFXDTAXYLBY-DTWKUNHWSA-N 0 3 200.282 -0.175 40 0 BBABHN CC[C@H]1CN(C(=O)CNC)CC[C@@H]1O ZINC000409425202 343818681 /nfs/dbraw/zinc/81/86/81/343818681.db2.gz AAVVFXDTAXYLBY-IUCAKERBSA-N 0 3 200.282 -0.175 40 0 BBABHN CC[C@@H]1CN(C(=O)CNC)CC[C@H]1O ZINC000409425204 343818812 /nfs/dbraw/zinc/81/88/12/343818812.db2.gz AAVVFXDTAXYLBY-RKDXNWHRSA-N 0 3 200.282 -0.175 40 0 BBABHN CC(=O)N1CC(Cn2cc(CN)nn2)C1 ZINC000409425351 343819222 /nfs/dbraw/zinc/81/92/22/343819222.db2.gz LARNYCKIIUCWNE-UHFFFAOYSA-N 0 3 209.253 -0.785 40 0 BBABHN O=c1n(CC2CCC2)ncn1C1CNC1 ZINC000409425365 343819300 /nfs/dbraw/zinc/81/93/00/343819300.db2.gz LEMPCGMWXXPYAF-UHFFFAOYSA-N 0 3 208.265 -0.011 40 0 BBABHN CC(=O)N1CCC[C@H](Cn2cc(CN)nn2)C1 ZINC000409425389 343819350 /nfs/dbraw/zinc/81/93/50/343819350.db2.gz LPEROCFFNYMBKS-JTQLQIEISA-N 0 3 237.307 -0.005 40 0 BBABHN CC(=O)N1CCC[C@@H](Cn2cc(CN)nn2)C1 ZINC000409425391 343819207 /nfs/dbraw/zinc/81/92/07/343819207.db2.gz LPEROCFFNYMBKS-SNVBAGLBSA-N 0 3 237.307 -0.005 40 0 BBABHN CNCC(=O)N1C[C@H](CO)C(C)(C)C1 ZINC000409425550 343819798 /nfs/dbraw/zinc/81/97/98/343819798.db2.gz ARGPYYKXHJHUCE-MRVPVSSYSA-N 0 3 200.282 -0.317 40 0 BBABHN CNCC(=O)N1C[C@@H](CO)C(C)(C)C1 ZINC000409425551 343819941 /nfs/dbraw/zinc/81/99/41/343819941.db2.gz ARGPYYKXHJHUCE-QMMMGPOBSA-N 0 3 200.282 -0.317 40 0 BBABHN O=c1n(C2CNC2)cnn1[C@@H]1CCOC1 ZINC000409425628 343819683 /nfs/dbraw/zinc/81/96/83/343819683.db2.gz MJOSMTNYHABKLQ-SSDOTTSWSA-N 0 3 210.237 -0.850 40 0 BBABHN O=c1n(C2CNC2)cnn1[C@H]1CCOC1 ZINC000409425629 343819767 /nfs/dbraw/zinc/81/97/67/343819767.db2.gz MJOSMTNYHABKLQ-ZETCQYMHSA-N 0 3 210.237 -0.850 40 0 BBABHN Cn1nc(C2CCC2)n(C2CNC2)c1=O ZINC000409425740 343820384 /nfs/dbraw/zinc/82/03/84/343820384.db2.gz MQKJPLQVPFPTIA-UHFFFAOYSA-N 0 3 208.265 -0.006 40 0 BBABHN CCn1nc([C@@H]2CCOC2)n(C2CNC2)c1=O ZINC000409425852 343820987 /nfs/dbraw/zinc/82/09/87/343820987.db2.gz NLBTUOURZXUMMV-MRVPVSSYSA-N 0 3 238.291 -0.287 40 0 BBABHN CCn1nc([C@H]2CCOC2)n(C2CNC2)c1=O ZINC000409425853 343820782 /nfs/dbraw/zinc/82/07/82/343820782.db2.gz NLBTUOURZXUMMV-QMMMGPOBSA-N 0 3 238.291 -0.287 40 0 BBABHN CCC(=O)N1CC(Cn2cc(CN)nn2)C1 ZINC000409425878 343820710 /nfs/dbraw/zinc/82/07/10/343820710.db2.gz NOQSDVBUUGUBCZ-UHFFFAOYSA-N 0 3 223.280 -0.395 40 0 BBABHN O=c1n(CC(F)F)ncn1C1CNC1 ZINC000409425909 343820848 /nfs/dbraw/zinc/82/08/48/343820848.db2.gz NZASNFYXSVUFCR-UHFFFAOYSA-N 0 3 204.180 -0.546 40 0 BBABHN COCc1cc2n(n1)C[C@@H](C)N(C(=O)CN)C2 ZINC000409426036 343821519 /nfs/dbraw/zinc/82/15/19/343821519.db2.gz BUTYRBKQOYEEDO-MRVPVSSYSA-N 0 3 238.291 -0.281 40 0 BBABHN COCc1cc2n(n1)C[C@H](C)N(C(=O)CN)C2 ZINC000409426044 343821307 /nfs/dbraw/zinc/82/13/07/343821307.db2.gz BUTYRBKQOYEEDO-QMMMGPOBSA-N 0 3 238.291 -0.281 40 0 BBABHN O=c1n(C2CNC2)cnn1C1CCOCC1 ZINC000409426204 343821965 /nfs/dbraw/zinc/82/19/65/343821965.db2.gz OUBKLUSFFJJXBR-UHFFFAOYSA-N 0 3 224.264 -0.459 40 0 BBABHN CCC(=O)N1CC[C@@H](n2cc(CN)nn2)C1 ZINC000409426304 343821732 /nfs/dbraw/zinc/82/17/32/343821732.db2.gz PQJRYQAMRJAXDP-SECBINFHSA-N 0 3 223.280 -0.080 40 0 BBABHN CCC(=O)N1CC[C@H](n2cc(CN)nn2)C1 ZINC000409426305 343821862 /nfs/dbraw/zinc/82/18/62/343821862.db2.gz PQJRYQAMRJAXDP-VIFPVBQESA-N 0 3 223.280 -0.080 40 0 BBABHN CNCC(=O)N1C[C@@H](OC)[C@H](n2cccn2)C1 ZINC000409426316 343822640 /nfs/dbraw/zinc/82/26/40/343822640.db2.gz BYZVETLTQSXHAS-NXEZZACHSA-N 0 3 238.291 -0.499 40 0 BBABHN CNCC(=O)N1C[C@H](OC)[C@@H](n2cccn2)C1 ZINC000409426321 343822647 /nfs/dbraw/zinc/82/26/47/343822647.db2.gz BYZVETLTQSXHAS-UWVGGRQHSA-N 0 3 238.291 -0.499 40 0 BBABHN CNCC(=O)N1C[C@@H](OC)[C@@H](n2cccn2)C1 ZINC000409426322 343822657 /nfs/dbraw/zinc/82/26/57/343822657.db2.gz BYZVETLTQSXHAS-VHSXEESVSA-N 0 3 238.291 -0.499 40 0 BBABHN CNCC(=O)N1C[C@@H](n2cccn2)[C@@H](OC)C1 ZINC000409426323 343822579 /nfs/dbraw/zinc/82/25/79/343822579.db2.gz BYZVETLTQSXHAS-ZJUUUORDSA-N 0 3 238.291 -0.499 40 0 BBABHN C[C@H](N)C(=O)N1CC[C@H](O)[C@@H](CCF)C1 ZINC000409426409 343822665 /nfs/dbraw/zinc/82/26/65/343822665.db2.gz CGSHWOGKDWTPLH-CIUDSAMLSA-N 0 3 218.272 -0.097 40 0 BBABHN C[C@H](N)C(=O)N1CC[C@@H](O)[C@H](CCF)C1 ZINC000409426414 343822402 /nfs/dbraw/zinc/82/24/02/343822402.db2.gz CGSHWOGKDWTPLH-DJLDLDEBSA-N 0 3 218.272 -0.097 40 0 BBABHN C[C@H](N)C(=O)N1CC[C@@H](O)[C@@H](CCF)C1 ZINC000409426415 343822524 /nfs/dbraw/zinc/82/25/24/343822524.db2.gz CGSHWOGKDWTPLH-XHNCKOQMSA-N 0 3 218.272 -0.097 40 0 BBABHN C[C@H](N)C(=O)N1CC[C@H](O)[C@H](CCF)C1 ZINC000409426416 343822418 /nfs/dbraw/zinc/82/24/18/343822418.db2.gz CGSHWOGKDWTPLH-YIZRAAEISA-N 0 3 218.272 -0.097 40 0 BBABHN C[C@H](N)C(=O)N1C[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000409426419 343797930 /nfs/dbraw/zinc/79/79/30/343797930.db2.gz CHMVVSCZNHWDQP-ACZMJKKPSA-N 0 3 240.225 -0.037 40 0 BBABHN C[C@H](N)C(=O)N1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000409426420 343797935 /nfs/dbraw/zinc/79/79/35/343797935.db2.gz CHMVVSCZNHWDQP-LYFYHCNISA-N 0 3 240.225 -0.037 40 0 BBABHN C[C@H](N)C(=O)N1C[C@H](CO)[C@H](C(F)(F)F)C1 ZINC000409426421 343798055 /nfs/dbraw/zinc/79/80/55/343798055.db2.gz CHMVVSCZNHWDQP-RRKCRQDMSA-N 0 3 240.225 -0.037 40 0 BBABHN C[C@H](N)C(=O)N1C[C@H](CO)[C@@H](C(F)(F)F)C1 ZINC000409426422 343797974 /nfs/dbraw/zinc/79/79/74/343797974.db2.gz CHMVVSCZNHWDQP-XVMARJQXSA-N 0 3 240.225 -0.037 40 0 BBABHN C[C@H](N)C(=O)N1CCC[C@@]2(C[C@H](O)CCO2)C1 ZINC000409426424 343798079 /nfs/dbraw/zinc/79/80/79/343798079.db2.gz CJBNXXRMFLJKEK-HOSYDEDBSA-N 0 3 242.319 -0.134 40 0 BBABHN C[C@H](N)C(=O)N1CCC[C@@]2(C[C@@H](O)CCO2)C1 ZINC000409426426 343798035 /nfs/dbraw/zinc/79/80/35/343798035.db2.gz CJBNXXRMFLJKEK-JBLDHEPKSA-N 0 3 242.319 -0.134 40 0 BBABHN C[C@H](N)C(=O)N1CCC[C@]2(C[C@@H](O)CCO2)C1 ZINC000409426427 343797910 /nfs/dbraw/zinc/79/79/10/343797910.db2.gz CJBNXXRMFLJKEK-NHCYSSNCSA-N 0 3 242.319 -0.134 40 0 BBABHN C[C@H](N)C(=O)N1CCC[C@]2(C[C@H](O)CCO2)C1 ZINC000409426428 343797776 /nfs/dbraw/zinc/79/77/76/343797776.db2.gz CJBNXXRMFLJKEK-UMNHJUIQSA-N 0 3 242.319 -0.134 40 0 BBABHN COCCn1nc(C)n(C2CNC2)c1=O ZINC000409426526 343798106 /nfs/dbraw/zinc/79/81/06/343798106.db2.gz QTPPVIUERNRVLZ-UHFFFAOYSA-N 0 3 212.253 -0.856 40 0 BBABHN CNCC(=O)N1CCC[C@H]([C@@H](C)O)C1 ZINC000409426714 343798602 /nfs/dbraw/zinc/79/86/02/343798602.db2.gz IOHLZNLBCVCDTM-BDAKNGLRSA-N 0 3 200.282 -0.175 40 0 BBABHN CNCC(=O)N1CCC[C@@H]([C@H](C)O)C1 ZINC000409426715 343798370 /nfs/dbraw/zinc/79/83/70/343798370.db2.gz IOHLZNLBCVCDTM-DTWKUNHWSA-N 0 3 200.282 -0.175 40 0 BBABHN CNCC(=O)N1CCC[C@H]([C@H](C)O)C1 ZINC000409426716 343798532 /nfs/dbraw/zinc/79/85/32/343798532.db2.gz IOHLZNLBCVCDTM-IUCAKERBSA-N 0 3 200.282 -0.175 40 0 BBABHN CNCC(=O)N1CCC[C@@H]([C@@H](C)O)C1 ZINC000409426718 343798557 /nfs/dbraw/zinc/79/85/57/343798557.db2.gz IOHLZNLBCVCDTM-RKDXNWHRSA-N 0 3 200.282 -0.175 40 0 BBABHN O=c1n(CC(F)(F)F)ncn1C1CNC1 ZINC000409426734 343798919 /nfs/dbraw/zinc/79/89/19/343798919.db2.gz RVTGZWOLAOIALH-UHFFFAOYSA-N 0 3 222.170 -0.249 40 0 BBABHN COCCN(C(=O)CN)C1CCOCC1 ZINC000409426769 343798912 /nfs/dbraw/zinc/79/89/12/343798912.db2.gz CXHFNLWNTRDIHZ-UHFFFAOYSA-N 0 3 216.281 -0.401 40 0 BBABHN CCC(=O)N1CC[C@@H](Cn2cc(CN)nn2)C1 ZINC000409426813 343799012 /nfs/dbraw/zinc/79/90/12/343799012.db2.gz SEANOGVDPOGMNX-SECBINFHSA-N 0 3 237.307 -0.005 40 0 BBABHN CCC(=O)N1CC[C@H](Cn2cc(CN)nn2)C1 ZINC000409426815 343798973 /nfs/dbraw/zinc/79/89/73/343798973.db2.gz SEANOGVDPOGMNX-VIFPVBQESA-N 0 3 237.307 -0.005 40 0 BBABHN CCO[C@@H]1CN(C(=O)CNC)C[C@@H]1OCC ZINC000409426930 343799637 /nfs/dbraw/zinc/79/96/37/343799637.db2.gz DEVWWRJLFNJINK-AOOOYVTPSA-N 0 3 230.308 -0.142 40 0 BBABHN CCO[C@@H]1CN(C(=O)CNC)C[C@H]1OCC ZINC000409426931 343799696 /nfs/dbraw/zinc/79/96/96/343799696.db2.gz DEVWWRJLFNJINK-NXEZZACHSA-N 0 3 230.308 -0.142 40 0 BBABHN CCO[C@H]1CN(C(=O)CNC)C[C@@H]1OCC ZINC000409426932 343799561 /nfs/dbraw/zinc/79/95/61/343799561.db2.gz DEVWWRJLFNJINK-UWVGGRQHSA-N 0 3 230.308 -0.142 40 0 BBABHN C[C@H](N)C(=O)N1CC(O)(C(F)(F)F)C1 ZINC000409426950 343799688 /nfs/dbraw/zinc/79/96/88/343799688.db2.gz DHQATBFKURYNFM-BYPYZUCNSA-N 0 3 212.171 -0.531 40 0 BBABHN C[C@@H](N)C(=O)N1CC(O)(C(F)(F)F)C1 ZINC000409426951 343799541 /nfs/dbraw/zinc/79/95/41/343799541.db2.gz DHQATBFKURYNFM-SCSAIBSYSA-N 0 3 212.171 -0.531 40 0 BBABHN N=C(CN1C[C@@H](O)[C@H](n2ccnc2)C1)NO ZINC000409426978 343799410 /nfs/dbraw/zinc/79/94/10/343799410.db2.gz DKYRUPQCTARDFY-HTQZYQBOSA-N 0 3 225.252 -0.943 40 0 BBABHN N=C(CN1C[C@@H](O)[C@@H](n2ccnc2)C1)NO ZINC000409426982 343799391 /nfs/dbraw/zinc/79/93/91/343799391.db2.gz DKYRUPQCTARDFY-JGVFFNPUSA-N 0 3 225.252 -0.943 40 0 BBABHN N=C(CN1C[C@@H](n2ccnc2)[C@@H](O)C1)NO ZINC000409426983 343799536 /nfs/dbraw/zinc/79/95/36/343799536.db2.gz DKYRUPQCTARDFY-SFYZADRCSA-N 0 3 225.252 -0.943 40 0 BBABHN N=C(CN1C[C@H](O)[C@@H](n2ccnc2)C1)NO ZINC000409426985 343799512 /nfs/dbraw/zinc/79/95/12/343799512.db2.gz DKYRUPQCTARDFY-YUMQZZPRSA-N 0 3 225.252 -0.943 40 0 BBABHN NCC(=O)N1CCC[C@@]2(C[C@@H](O)CCO2)C1 ZINC000409426988 343799369 /nfs/dbraw/zinc/79/93/69/343799369.db2.gz DLBZERBTBRNERU-GXSJLCMTSA-N 0 3 228.292 -0.522 40 0 BBABHN NCC(=O)N1CCC[C@]2(C[C@H](O)CCO2)C1 ZINC000409426994 343799739 /nfs/dbraw/zinc/79/97/39/343799739.db2.gz DLBZERBTBRNERU-KOLCDFICSA-N 0 3 228.292 -0.522 40 0 BBABHN NCC(=O)N1CCC[C@@]2(C[C@H](O)CCO2)C1 ZINC000409426995 343799444 /nfs/dbraw/zinc/79/94/44/343799444.db2.gz DLBZERBTBRNERU-MWLCHTKSSA-N 0 3 228.292 -0.522 40 0 BBABHN NCC(=O)N1CCC[C@]2(C[C@@H](O)CCO2)C1 ZINC000409426997 343799500 /nfs/dbraw/zinc/79/95/00/343799500.db2.gz DLBZERBTBRNERU-ONGXEEELSA-N 0 3 228.292 -0.522 40 0 BBABHN CC(=O)N1CC[C@@H](Cn2cc(CN)nn2)C1 ZINC000409427095 343800263 /nfs/dbraw/zinc/80/02/63/343800263.db2.gz UKJUNSIGRIXLCU-SECBINFHSA-N 0 3 223.280 -0.395 40 0 BBABHN CC(=O)N1CC[C@H](Cn2cc(CN)nn2)C1 ZINC000409427097 343800112 /nfs/dbraw/zinc/80/01/12/343800112.db2.gz UKJUNSIGRIXLCU-VIFPVBQESA-N 0 3 223.280 -0.395 40 0 BBABHN NCC(=O)N1CCC2(CC1)C[C@H](O)CCO2 ZINC000409427118 343800109 /nfs/dbraw/zinc/80/01/09/343800109.db2.gz JPXGBOYWGPKRRT-SECBINFHSA-N 0 3 228.292 -0.522 40 0 BBABHN NCC(=O)N1CCC2(CC1)C[C@@H](O)CCO2 ZINC000409427120 343799926 /nfs/dbraw/zinc/79/99/26/343799926.db2.gz JPXGBOYWGPKRRT-VIFPVBQESA-N 0 3 228.292 -0.522 40 0 BBABHN CCNc1ccc(N2CCNCC2)nn1 ZINC000409427176 411649512 /nfs/dbraw/zinc/64/95/12/411649512.db2.gz HUMLGBYHNODBCU-UHFFFAOYSA-N 0 3 207.281 0.318 40 0 BBABHN CC(=O)N1CCC[C@H]1Cn1cc(CN)nn1 ZINC000409427201 343799932 /nfs/dbraw/zinc/79/99/32/343799932.db2.gz VFLPBYDEWZEMGS-JTQLQIEISA-N 0 3 223.280 -0.252 40 0 BBABHN CC(=O)N1CCC[C@@H]1Cn1cc(CN)nn1 ZINC000409427210 343800283 /nfs/dbraw/zinc/80/02/83/343800283.db2.gz VFLPBYDEWZEMGS-SNVBAGLBSA-N 0 3 223.280 -0.252 40 0 BBABHN Cc1nn(C2CCOCC2)c(=O)n1C1CNC1 ZINC000409427285 343800597 /nfs/dbraw/zinc/80/05/97/343800597.db2.gz VPVHJISPEHQWLJ-UHFFFAOYSA-N 0 3 238.291 -0.151 40 0 BBABHN CCC[C@@H]1CN(C(=O)CN)CC[C@@H]1O ZINC000409427315 343800792 /nfs/dbraw/zinc/80/07/92/343800792.db2.gz DRTVFCNLOOTGND-BDAKNGLRSA-N 0 3 200.282 -0.045 40 0 BBABHN CCC[C@H]1CN(C(=O)CN)CC[C@H]1O ZINC000409427316 343800630 /nfs/dbraw/zinc/80/06/30/343800630.db2.gz DRTVFCNLOOTGND-DTWKUNHWSA-N 0 3 200.282 -0.045 40 0 BBABHN CCC[C@H]1CN(C(=O)CN)CC[C@@H]1O ZINC000409427317 343800681 /nfs/dbraw/zinc/80/06/81/343800681.db2.gz DRTVFCNLOOTGND-IUCAKERBSA-N 0 3 200.282 -0.045 40 0 BBABHN CCC[C@@H]1CN(C(=O)CN)CC[C@H]1O ZINC000409427318 343800699 /nfs/dbraw/zinc/80/06/99/343800699.db2.gz DRTVFCNLOOTGND-RKDXNWHRSA-N 0 3 200.282 -0.045 40 0 BBABHN CCO[C@H]1CN(CC(=N)NO)C[C@@H]1O ZINC000409427346 343800642 /nfs/dbraw/zinc/80/06/42/343800642.db2.gz DVULHEPUNICPJC-BQBZGAKWSA-N 0 3 203.242 -0.976 40 0 BBABHN CCO[C@@H]1CN(CC(=N)NO)C[C@@H]1O ZINC000409427347 343800562 /nfs/dbraw/zinc/80/05/62/343800562.db2.gz DVULHEPUNICPJC-NKWVEPMBSA-N 0 3 203.242 -0.976 40 0 BBABHN CCO[C@@H]1CN(CC(=N)NO)C[C@H]1O ZINC000409427348 343800587 /nfs/dbraw/zinc/80/05/87/343800587.db2.gz DVULHEPUNICPJC-RNFRBKRXSA-N 0 3 203.242 -0.976 40 0 BBABHN CCO[C@H]1CN(CC(=N)NO)C[C@H]1O ZINC000409427349 343800789 /nfs/dbraw/zinc/80/07/89/343800789.db2.gz DVULHEPUNICPJC-RQJHMYQMSA-N 0 3 203.242 -0.976 40 0 BBABHN CCc1nn(CCOC)c(=O)n1C1CNC1 ZINC000409427614 343801526 /nfs/dbraw/zinc/80/15/26/343801526.db2.gz WLJZMRIGTPFGDB-UHFFFAOYSA-N 0 3 226.280 -0.602 40 0 BBABHN Cc1nn([C@@H]2CCOC2)c(=O)n1C1CNC1 ZINC000409427770 343801488 /nfs/dbraw/zinc/80/14/88/343801488.db2.gz XRPSLYURDHVPRF-MRVPVSSYSA-N 0 3 224.264 -0.541 40 0 BBABHN Cc1nn([C@H]2CCOC2)c(=O)n1C1CNC1 ZINC000409427773 343801736 /nfs/dbraw/zinc/80/17/36/343801736.db2.gz XRPSLYURDHVPRF-QMMMGPOBSA-N 0 3 224.264 -0.541 40 0 BBABHN CO[C@@H]1CN(CCO)C[C@H]1n1ccnc1 ZINC000409427925 343802009 /nfs/dbraw/zinc/80/20/09/343802009.db2.gz FUSLCGWROFNZFP-NXEZZACHSA-N 0 3 211.265 -0.253 40 0 BBABHN CO[C@H]1CN(CCO)C[C@@H]1n1ccnc1 ZINC000409427927 343802038 /nfs/dbraw/zinc/80/20/38/343802038.db2.gz FUSLCGWROFNZFP-UWVGGRQHSA-N 0 3 211.265 -0.253 40 0 BBABHN CO[C@@H]1CN(CCO)C[C@@H]1n1ccnc1 ZINC000409427928 343802297 /nfs/dbraw/zinc/80/22/97/343802297.db2.gz FUSLCGWROFNZFP-VHSXEESVSA-N 0 3 211.265 -0.253 40 0 BBABHN CO[C@H]1CN(CCO)C[C@H]1n1ccnc1 ZINC000409427929 343802180 /nfs/dbraw/zinc/80/21/80/343802180.db2.gz FUSLCGWROFNZFP-ZJUUUORDSA-N 0 3 211.265 -0.253 40 0 BBABHN NCc1cn(CC2CN(C(=O)C3CC3)C2)nn1 ZINC000409428014 343802613 /nfs/dbraw/zinc/80/26/13/343802613.db2.gz XWFCOEKHNQRTEQ-UHFFFAOYSA-N 0 3 235.291 -0.395 40 0 BBABHN NCc1cn(C2CN(C(=O)C(F)(F)F)C2)nn1 ZINC000409428032 343802555 /nfs/dbraw/zinc/80/25/55/343802555.db2.gz YHSHWESTFPHJQB-UHFFFAOYSA-N 0 3 249.196 -0.318 40 0 BBABHN CC(=O)N1CC[C@@H](n2cc(CN)nn2)C1 ZINC000409428041 343802444 /nfs/dbraw/zinc/80/24/44/343802444.db2.gz YLAOSYDYVDQFSX-SECBINFHSA-N 0 3 209.253 -0.470 40 0 BBABHN CC(=O)N1CC[C@H](n2cc(CN)nn2)C1 ZINC000409428043 343802451 /nfs/dbraw/zinc/80/24/51/343802451.db2.gz YLAOSYDYVDQFSX-VIFPVBQESA-N 0 3 209.253 -0.470 40 0 BBABHN CCO[C@H]1CN(C(=O)CNC)C[C@H]1OC ZINC000409428144 350476348 /nfs/dbraw/zinc/47/63/48/350476348.db2.gz FZLFSMRUYUFYRB-BDAKNGLRSA-N 0 3 216.281 -0.532 40 0 BBABHN CCO[C@@H]1CN(C(=O)CNC)C[C@@H]1OC ZINC000409428146 343802634 /nfs/dbraw/zinc/80/26/34/343802634.db2.gz FZLFSMRUYUFYRB-DTWKUNHWSA-N 0 3 216.281 -0.532 40 0 BBABHN CCO[C@H]1CN(C(=O)CNC)C[C@@H]1OC ZINC000409428147 343802490 /nfs/dbraw/zinc/80/24/90/343802490.db2.gz FZLFSMRUYUFYRB-IUCAKERBSA-N 0 3 216.281 -0.532 40 0 BBABHN CCO[C@@H]1CN(C(=O)CNC)C[C@H]1OC ZINC000409428148 343802550 /nfs/dbraw/zinc/80/25/50/343802550.db2.gz FZLFSMRUYUFYRB-RKDXNWHRSA-N 0 3 216.281 -0.532 40 0 BBABHN CNCC(=O)N1CC[C@@](CO)(C(F)(F)F)C1 ZINC000409428286 343803278 /nfs/dbraw/zinc/80/32/78/343803278.db2.gz GFFUKCQECYHDLN-MRVPVSSYSA-N 0 3 240.225 -0.021 40 0 BBABHN CNCC(=O)N1CC[C@](CO)(C(F)(F)F)C1 ZINC000409428288 343802993 /nfs/dbraw/zinc/80/29/93/343802993.db2.gz GFFUKCQECYHDLN-QMMMGPOBSA-N 0 3 240.225 -0.021 40 0 BBABHN Cc1nn(CC2CC2)c(=O)n1C1CNC1 ZINC000409428413 343803027 /nfs/dbraw/zinc/80/30/27/343803027.db2.gz ZXFAWVWXLIVOJX-UHFFFAOYSA-N 0 3 208.265 -0.092 40 0 BBABHN COC(CNc1cc(N)nc(C)n1)OC ZINC000409428441 412353092 /nfs/dbraw/zinc/35/30/92/412353092.db2.gz FIPBLTNLJRSQIO-UHFFFAOYSA-N 0 3 212.253 0.398 40 0 BBABHN CC1(C)CN(CC(=N)NO)C[C@@H]1CO ZINC000409428678 343804176 /nfs/dbraw/zinc/80/41/76/343804176.db2.gz GWRYRVHEMGDPDO-SSDOTTSWSA-N 0 3 201.270 -0.107 40 0 BBABHN CC1(C)CN(CC(=N)NO)C[C@H]1CO ZINC000409428681 343804057 /nfs/dbraw/zinc/80/40/57/343804057.db2.gz GWRYRVHEMGDPDO-ZETCQYMHSA-N 0 3 201.270 -0.107 40 0 BBABHN NCC(=O)N1C[C@@H]2CCCC[C@]2(CO)C1 ZINC000409429111 343804655 /nfs/dbraw/zinc/80/46/55/343804655.db2.gz HKKOAISZHHFGLX-GXSJLCMTSA-N 0 3 212.293 -0.044 40 0 BBABHN NCC(=O)N1C[C@H]2CCCC[C@@]2(CO)C1 ZINC000409429113 343804681 /nfs/dbraw/zinc/80/46/81/343804681.db2.gz HKKOAISZHHFGLX-KOLCDFICSA-N 0 3 212.293 -0.044 40 0 BBABHN NCC(=O)N1C[C@H]2CCCC[C@]2(CO)C1 ZINC000409429115 343804699 /nfs/dbraw/zinc/80/46/99/343804699.db2.gz HKKOAISZHHFGLX-MWLCHTKSSA-N 0 3 212.293 -0.044 40 0 BBABHN NCC(=O)N1C[C@@H]2CCCC[C@@]2(CO)C1 ZINC000409429118 343804739 /nfs/dbraw/zinc/80/47/39/343804739.db2.gz HKKOAISZHHFGLX-ONGXEEELSA-N 0 3 212.293 -0.044 40 0 BBABHN CCO[C@@H]1CN(C(=O)CN)C[C@@H]1OCC ZINC000409429396 343805518 /nfs/dbraw/zinc/80/55/18/343805518.db2.gz HKUIYMRMURPTQJ-DTORHVGOSA-N 0 3 216.281 -0.403 40 0 BBABHN CCO[C@H]1CN(C(=O)CN)C[C@@H]1OCC ZINC000409429402 343805525 /nfs/dbraw/zinc/80/55/25/343805525.db2.gz HKUIYMRMURPTQJ-IUCAKERBSA-N 0 3 216.281 -0.403 40 0 BBABHN CCO[C@@H]1CN(C(=O)CN)C[C@H]1OCC ZINC000409429403 343805651 /nfs/dbraw/zinc/80/56/51/343805651.db2.gz HKUIYMRMURPTQJ-RKDXNWHRSA-N 0 3 216.281 -0.403 40 0 BBABHN N=C(CN1CCC2(CC1)C[C@H](O)CCO2)NO ZINC000409429430 343805681 /nfs/dbraw/zinc/80/56/81/343805681.db2.gz OFNQACZCQAWGNP-SECBINFHSA-N 0 3 243.307 -0.052 40 0 BBABHN N=C(CN1CCC2(CC1)C[C@@H](O)CCO2)NO ZINC000409429445 343805697 /nfs/dbraw/zinc/80/56/97/343805697.db2.gz OFNQACZCQAWGNP-VIFPVBQESA-N 0 3 243.307 -0.052 40 0 BBABHN N=C(CN1CCC(C(N)=O)CC1)NO ZINC000409429447 343805641 /nfs/dbraw/zinc/80/56/41/343805641.db2.gz RWAPAAXQIJIKHO-UHFFFAOYSA-N 0 3 200.242 -0.860 40 0 BBABHN CN(CCO)c1cc(N2CCNCC2)ncn1 ZINC000409429460 343805779 /nfs/dbraw/zinc/80/57/79/343805779.db2.gz LGLTWYGVFFSAOT-UHFFFAOYSA-N 0 3 237.307 -0.685 40 0 BBABHN CO[C@H]1CN(CC(=N)NO)C[C@H]1n1ccnc1 ZINC000409429583 343806158 /nfs/dbraw/zinc/80/61/58/343806158.db2.gz HQDCEKAODUYUDK-BDAKNGLRSA-N 0 3 239.279 -0.289 40 0 BBABHN CO[C@@H]1CN(CC(=N)NO)C[C@@H]1n1ccnc1 ZINC000409429588 343805996 /nfs/dbraw/zinc/80/59/96/343805996.db2.gz HQDCEKAODUYUDK-DTWKUNHWSA-N 0 3 239.279 -0.289 40 0 BBABHN CO[C@H]1CN(CC(=N)NO)C[C@@H]1n1ccnc1 ZINC000409429590 343806125 /nfs/dbraw/zinc/80/61/25/343806125.db2.gz HQDCEKAODUYUDK-IUCAKERBSA-N 0 3 239.279 -0.289 40 0 BBABHN CO[C@@H]1CN(CC(=N)NO)C[C@H]1n1ccnc1 ZINC000409429593 343806189 /nfs/dbraw/zinc/80/61/89/343806189.db2.gz HQDCEKAODUYUDK-RKDXNWHRSA-N 0 3 239.279 -0.289 40 0 BBABHN OCCN1CCC2(CC1)C[C@@H](O)CCO2 ZINC000409430377 343808165 /nfs/dbraw/zinc/80/81/65/343808165.db2.gz QNWMUPUPRHMNPO-JTQLQIEISA-N 0 3 215.293 -0.015 40 0 BBABHN OCCN1CCC2(CC1)C[C@H](O)CCO2 ZINC000409430387 343808143 /nfs/dbraw/zinc/80/81/43/343808143.db2.gz QNWMUPUPRHMNPO-SNVBAGLBSA-N 0 3 215.293 -0.015 40 0 BBABHN CO[C@H]1CCO[C@]2(CCN(C(=O)CN)C2)C1 ZINC000409430466 343808273 /nfs/dbraw/zinc/80/82/73/343808273.db2.gz IPBOUQTVFRVDPW-GXSJLCMTSA-N 0 3 228.292 -0.258 40 0 BBABHN CO[C@@H]1CCO[C@@]2(CCN(C(=O)CN)C2)C1 ZINC000409430472 343808264 /nfs/dbraw/zinc/80/82/64/343808264.db2.gz IPBOUQTVFRVDPW-KOLCDFICSA-N 0 3 228.292 -0.258 40 0 BBABHN CO[C@@H]1CCO[C@]2(CCN(C(=O)CN)C2)C1 ZINC000409430474 343808005 /nfs/dbraw/zinc/80/80/05/343808005.db2.gz IPBOUQTVFRVDPW-MWLCHTKSSA-N 0 3 228.292 -0.258 40 0 BBABHN CO[C@H]1CCO[C@@]2(CCN(C(=O)CN)C2)C1 ZINC000409430475 343808051 /nfs/dbraw/zinc/80/80/51/343808051.db2.gz IPBOUQTVFRVDPW-ONGXEEELSA-N 0 3 228.292 -0.258 40 0 BBABHN C[C@@H]1Cn2nc(CO)cc2CN1C(=O)CN ZINC000409430605 343808762 /nfs/dbraw/zinc/80/87/62/343808762.db2.gz IRFARSBADXVPPV-SSDOTTSWSA-N 0 3 224.264 -0.935 40 0 BBABHN C[C@H]1Cn2nc(CO)cc2CN1C(=O)CN ZINC000409430610 343808577 /nfs/dbraw/zinc/80/85/77/343808577.db2.gz IRFARSBADXVPPV-ZETCQYMHSA-N 0 3 224.264 -0.935 40 0 BBABHN C[C@@H](N)C(=O)N1C[C@H](CO)C(C)(C)C1 ZINC000409431119 343809784 /nfs/dbraw/zinc/80/97/84/343809784.db2.gz JKUOHNXWAWMJCB-HTQZYQBOSA-N 0 3 200.282 -0.190 40 0 BBABHN C[C@H](N)C(=O)N1C[C@H](CO)C(C)(C)C1 ZINC000409431120 343809780 /nfs/dbraw/zinc/80/97/80/343809780.db2.gz JKUOHNXWAWMJCB-JGVFFNPUSA-N 0 3 200.282 -0.190 40 0 BBABHN C[C@@H](N)C(=O)N1C[C@@H](CO)C(C)(C)C1 ZINC000409431121 343809767 /nfs/dbraw/zinc/80/97/67/343809767.db2.gz JKUOHNXWAWMJCB-SFYZADRCSA-N 0 3 200.282 -0.190 40 0 BBABHN C[C@H](N)C(=O)N1C[C@@H](CO)C(C)(C)C1 ZINC000409431123 343809798 /nfs/dbraw/zinc/80/97/98/343809798.db2.gz JKUOHNXWAWMJCB-YUMQZZPRSA-N 0 3 200.282 -0.190 40 0 BBABHN C[C@@H](N)C(=O)N1Cc2cc(CO)nn2C[C@H]1C ZINC000409431134 343809606 /nfs/dbraw/zinc/80/96/06/343809606.db2.gz JNJXFBNLXDNBGD-HTQZYQBOSA-N 0 3 238.291 -0.547 40 0 BBABHN C[C@@H](N)C(=O)N1Cc2cc(CO)nn2C[C@@H]1C ZINC000409431137 343809910 /nfs/dbraw/zinc/80/99/10/343809910.db2.gz JNJXFBNLXDNBGD-JGVFFNPUSA-N 0 3 238.291 -0.547 40 0 BBABHN C[C@H](N)C(=O)N1Cc2cc(CO)nn2C[C@H]1C ZINC000409431138 343809747 /nfs/dbraw/zinc/80/97/47/343809747.db2.gz JNJXFBNLXDNBGD-SFYZADRCSA-N 0 3 238.291 -0.547 40 0 BBABHN C[C@H](N)C(=O)N1Cc2cc(CO)nn2C[C@@H]1C ZINC000409431140 343809660 /nfs/dbraw/zinc/80/96/60/343809660.db2.gz JNJXFBNLXDNBGD-YUMQZZPRSA-N 0 3 238.291 -0.547 40 0 BBABHN O=S1(=O)N(C2CNC2)CCN1C1CCCC1 ZINC000409431458 343823583 /nfs/dbraw/zinc/82/35/83/343823583.db2.gz KBKHXGYMBQQTDB-UHFFFAOYSA-N 0 3 245.348 -0.237 40 0 BBABHN OC1CN(c2cc(N3CCNCC3)ncn2)C1 ZINC000409431622 343824022 /nfs/dbraw/zinc/82/40/22/343824022.db2.gz XUTIGXBBBRGMTQ-UHFFFAOYSA-N 0 3 235.291 -0.933 40 0 BBABHN CCO[C@@H]1CN(CC(=N)NO)C[C@H]1OC ZINC000409431706 343822395 /nfs/dbraw/zinc/82/23/95/343822395.db2.gz KAZVINOBQVNXLQ-HTQZYQBOSA-N 0 3 217.269 -0.322 40 0 BBABHN CCO[C@@H]1CN(CC(=N)NO)C[C@@H]1OC ZINC000409431707 343822342 /nfs/dbraw/zinc/82/23/42/343822342.db2.gz KAZVINOBQVNXLQ-JGVFFNPUSA-N 0 3 217.269 -0.322 40 0 BBABHN CCO[C@H]1CN(CC(=N)NO)C[C@H]1OC ZINC000409431708 343822413 /nfs/dbraw/zinc/82/24/13/343822413.db2.gz KAZVINOBQVNXLQ-SFYZADRCSA-N 0 3 217.269 -0.322 40 0 BBABHN CCO[C@H]1CN(CC(=N)NO)C[C@@H]1OC ZINC000409431709 350478084 /nfs/dbraw/zinc/47/80/84/350478084.db2.gz KAZVINOBQVNXLQ-YUMQZZPRSA-N 0 3 217.269 -0.322 40 0 BBABHN CO[C@@H]1CN(C(=O)[C@H]2CCCCN2)C[C@@H]1O ZINC000409431997 343824574 /nfs/dbraw/zinc/82/45/74/343824574.db2.gz KKVNMYDYBIPQJA-KXUCPTDWSA-N 0 3 228.292 -0.653 40 0 BBABHN CO[C@@H]1CN(C(=O)[C@@H]2CCCCN2)C[C@@H]1O ZINC000409431998 343824507 /nfs/dbraw/zinc/82/45/07/343824507.db2.gz KKVNMYDYBIPQJA-LPEHRKFASA-N 0 3 228.292 -0.653 40 0 BBABHN NCC(=O)N1CCN(C2CCOCC2)CC1 ZINC000409432142 343825327 /nfs/dbraw/zinc/82/53/27/343825327.db2.gz ULMPRJTYFBTATP-UHFFFAOYSA-N 0 3 227.308 -0.732 40 0 BBABHN NCC(=O)N1CCN(C2CCSCC2)CC1 ZINC000409432150 343824996 /nfs/dbraw/zinc/82/49/96/343824996.db2.gz ULWHNYZJAPCCKP-UHFFFAOYSA-N 0 3 243.376 -0.015 40 0 BBABHN c1c2c(nnc1N1CCNCC1)COCC2 ZINC000409432168 343825646 /nfs/dbraw/zinc/82/56/46/343825646.db2.gz URLHJQACNCFKOV-UHFFFAOYSA-N 0 3 220.276 -0.041 40 0 BBABHN CNCC(=O)N1CC(O)(C(F)(F)F)C1 ZINC000409432323 350134379 /nfs/dbraw/zinc/13/43/79/350134379.db2.gz LCXJWYHSVPFBMG-UHFFFAOYSA-N 0 3 212.171 -0.659 40 0 BBABHN C[C@H](N)C(=O)N1CC[C@]2(C1)C[C@@H](O)CCO2 ZINC000409432370 343826072 /nfs/dbraw/zinc/82/60/72/343826072.db2.gz LFDNLRZNOOXHIF-ATZCPNFKSA-N 0 3 228.292 -0.524 40 0 BBABHN C[C@H](N)C(=O)N1CC[C@]2(C1)C[C@H](O)CCO2 ZINC000409432371 343826058 /nfs/dbraw/zinc/82/60/58/343826058.db2.gz LFDNLRZNOOXHIF-IQJOONFLSA-N 0 3 228.292 -0.524 40 0 BBABHN C[C@H](N)C(=O)N1CC[C@@]2(C1)C[C@H](O)CCO2 ZINC000409432372 343826256 /nfs/dbraw/zinc/82/62/56/343826256.db2.gz LFDNLRZNOOXHIF-NGZCFLSTSA-N 0 3 228.292 -0.524 40 0 BBABHN C[C@H](N)C(=O)N1CC[C@@]2(C1)C[C@@H](O)CCO2 ZINC000409432373 343826063 /nfs/dbraw/zinc/82/60/63/343826063.db2.gz LFDNLRZNOOXHIF-QXEWZRGKSA-N 0 3 228.292 -0.524 40 0 BBABHN O=S1(=O)N(C2CC2)CCCN1C1CNC1 ZINC000409432470 343826554 /nfs/dbraw/zinc/82/65/54/343826554.db2.gz OBPMVTLCUCRFOL-UHFFFAOYSA-N 0 3 231.321 -0.627 40 0 BBABHN CCN1CCCN(C2CNC2)S1(=O)=O ZINC000409432488 350134321 /nfs/dbraw/zinc/13/43/21/350134321.db2.gz OIEBNDDSAJRCJU-UHFFFAOYSA-N 0 3 219.310 -0.769 40 0 BBABHN CC(C)N1CCN(C2CNC2)S1(=O)=O ZINC000409432559 343826931 /nfs/dbraw/zinc/82/69/31/343826931.db2.gz ONIMPEDYVRSXQG-UHFFFAOYSA-N 0 3 219.310 -0.771 40 0 BBABHN N=C(CN1CC(F)(F)C[C@@H]1CO)NO ZINC000409432727 343827392 /nfs/dbraw/zinc/82/73/92/343827392.db2.gz LSNCCZGVVJDDOT-RXMQYKEDSA-N 0 3 209.196 -0.356 40 0 BBABHN N=C(CN1CC(F)(F)C[C@H]1CO)NO ZINC000409432729 343827752 /nfs/dbraw/zinc/82/77/52/343827752.db2.gz LSNCCZGVVJDDOT-YFKPBYRVSA-N 0 3 209.196 -0.356 40 0 BBABHN CC(C)N1CCCN(C2CNC2)S1(=O)=O ZINC000409432831 350477886 /nfs/dbraw/zinc/47/78/86/350477886.db2.gz PDIYINMMWADFRK-UHFFFAOYSA-N 0 3 233.337 -0.381 40 0 BBABHN COc1cc(N2CCNCC2)c(OC)nn1 ZINC000409432929 343828834 /nfs/dbraw/zinc/82/88/34/343828834.db2.gz PZQGJQWROGJKFN-UHFFFAOYSA-N 0 3 224.264 -0.097 40 0 BBABHN CNCC(=O)N1CCN(C2CCOCC2)CC1 ZINC000409433118 256601309 /nfs/dbraw/zinc/60/13/09/256601309.db2.gz XLAPSBSNHDGVGE-UHFFFAOYSA-N 0 3 241.335 -0.471 40 0 BBABHN C[C@@H](N)C(=O)N1CCC2(CC1)C[C@H](O)CCO2 ZINC000409433207 343826901 /nfs/dbraw/zinc/82/69/01/343826901.db2.gz XUNDHACWQHUQBQ-NXEZZACHSA-N 0 3 242.319 -0.134 40 0 BBABHN C[C@H](N)C(=O)N1CCC2(CC1)C[C@@H](O)CCO2 ZINC000409433209 343827082 /nfs/dbraw/zinc/82/70/82/343827082.db2.gz XUNDHACWQHUQBQ-UWVGGRQHSA-N 0 3 242.319 -0.134 40 0 BBABHN COCCN(C(=O)[C@@H](C)N)C1CCOCC1 ZINC000409433303 343831972 /nfs/dbraw/zinc/83/19/72/343831972.db2.gz MMHBDUNMMZDPEC-SECBINFHSA-N 0 3 230.308 -0.012 40 0 BBABHN COCCN(C(=O)[C@H](C)N)C1CCOCC1 ZINC000409433304 343832090 /nfs/dbraw/zinc/83/20/90/343832090.db2.gz MMHBDUNMMZDPEC-VIFPVBQESA-N 0 3 230.308 -0.012 40 0 BBABHN C[C@H](N)C(=O)N1CCC2(CC1)C[C@H](O)CCO2 ZINC000409433314 343832346 /nfs/dbraw/zinc/83/23/46/343832346.db2.gz XUNDHACWQHUQBQ-VHSXEESVSA-N 0 3 242.319 -0.134 40 0 BBABHN C[C@@H](N)C(=O)N1CCC2(CC1)C[C@@H](O)CCO2 ZINC000409433316 343832008 /nfs/dbraw/zinc/83/20/08/343832008.db2.gz XUNDHACWQHUQBQ-ZJUUUORDSA-N 0 3 242.319 -0.134 40 0 BBABHN CNCC(=O)N1CCC2(CC1)C[C@@H](O)CCO2 ZINC000409433351 343832311 /nfs/dbraw/zinc/83/23/11/343832311.db2.gz XYPLJMWTHYVLLG-JTQLQIEISA-N 0 3 242.319 -0.262 40 0 BBABHN CNCC(=O)N1CCC2(CC1)C[C@H](O)CCO2 ZINC000409433353 343831957 /nfs/dbraw/zinc/83/19/57/343831957.db2.gz XYPLJMWTHYVLLG-SNVBAGLBSA-N 0 3 242.319 -0.262 40 0 BBABHN N=C(CN1C[C@@H](O)[C@H](n2cccn2)C1)NO ZINC000409433381 343832822 /nfs/dbraw/zinc/83/28/22/343832822.db2.gz MRAALRGOVKLWNE-HTQZYQBOSA-N 0 3 225.252 -0.943 40 0 BBABHN N=C(CN1C[C@@H](O)[C@@H](n2cccn2)C1)NO ZINC000409433385 343832606 /nfs/dbraw/zinc/83/26/06/343832606.db2.gz MRAALRGOVKLWNE-JGVFFNPUSA-N 0 3 225.252 -0.943 40 0 BBABHN N=C(CN1C[C@@H](n2cccn2)[C@@H](O)C1)NO ZINC000409433386 343832627 /nfs/dbraw/zinc/83/26/27/343832627.db2.gz MRAALRGOVKLWNE-SFYZADRCSA-N 0 3 225.252 -0.943 40 0 BBABHN N=C(CN1C[C@H](O)[C@@H](n2cccn2)C1)NO ZINC000409433387 343832573 /nfs/dbraw/zinc/83/25/73/343832573.db2.gz MRAALRGOVKLWNE-YUMQZZPRSA-N 0 3 225.252 -0.943 40 0 BBABHN N=C(CN1CCC(N2CCOCC2)CC1)NO ZINC000409433587 343829273 /nfs/dbraw/zinc/82/92/73/343829273.db2.gz YNZVBAUMJPLBOU-UHFFFAOYSA-N 0 3 242.323 -0.261 40 0 BBABHN O=C([C@H]1CCCCN1)N1C[C@H]2C[C@@H](C1)C2O ZINC000409433589 343829243 /nfs/dbraw/zinc/82/92/43/343829243.db2.gz YOHTXQIQXSEFFF-GZBOUJLJSA-N 0 3 224.304 -0.032 40 0 BBABHN O=C([C@@H]1CCCCN1)N1C[C@H]2C[C@@H](C1)C2O ZINC000409433590 343829291 /nfs/dbraw/zinc/82/92/91/343829291.db2.gz YOHTXQIQXSEFFF-JDUUOCRZSA-N 0 3 224.304 -0.032 40 0 BBABHN CNCC(=O)N1C[C@@H](C)[C@H](COC)C1 ZINC000409433617 343829702 /nfs/dbraw/zinc/82/97/02/343829702.db2.gz YRYIJBQOEZKUCW-BDAKNGLRSA-N 0 3 200.282 -0.053 40 0 BBABHN CNCC(=O)N1C[C@H](C)[C@@H](COC)C1 ZINC000409433619 343829680 /nfs/dbraw/zinc/82/96/80/343829680.db2.gz YRYIJBQOEZKUCW-DTWKUNHWSA-N 0 3 200.282 -0.053 40 0 BBABHN CNCC(=O)N1C[C@H](C)[C@H](COC)C1 ZINC000409433621 343829695 /nfs/dbraw/zinc/82/96/95/343829695.db2.gz YRYIJBQOEZKUCW-IUCAKERBSA-N 0 3 200.282 -0.053 40 0 BBABHN CNCC(=O)N1C[C@H](COC)[C@H](C)C1 ZINC000409433622 343829621 /nfs/dbraw/zinc/82/96/21/343829621.db2.gz YRYIJBQOEZKUCW-RKDXNWHRSA-N 0 3 200.282 -0.053 40 0 BBABHN OCCN1CCC[C@@]2(C[C@H](O)CCO2)C1 ZINC000409433767 490243782 /nfs/dbraw/zinc/24/37/82/490243782.db2.gz NMALWPBIIAOONN-GHMZBOCLSA-N 0 3 215.293 -0.015 40 0 BBABHN OCCN1CCC[C@]2(C[C@H](O)CCO2)C1 ZINC000409433768 490243856 /nfs/dbraw/zinc/24/38/56/490243856.db2.gz NMALWPBIIAOONN-MNOVXSKESA-N 0 3 215.293 -0.015 40 0 BBABHN OCCN1CCC[C@]2(C[C@@H](O)CCO2)C1 ZINC000409433769 490243829 /nfs/dbraw/zinc/24/38/29/490243829.db2.gz NMALWPBIIAOONN-QWRGUYRKSA-N 0 3 215.293 -0.015 40 0 BBABHN OCCN1CCC[C@@]2(C[C@@H](O)CCO2)C1 ZINC000409433770 490243623 /nfs/dbraw/zinc/24/36/23/490243623.db2.gz NMALWPBIIAOONN-WDEREUQCSA-N 0 3 215.293 -0.015 40 0 BBABHN C[C@@H]1Cn2nc(CO)cc2CN1CC(=N)NO ZINC000409433882 398086356 /nfs/dbraw/zinc/08/63/56/398086356.db2.gz NQJSFAGYBUBGST-SSDOTTSWSA-N 0 3 239.279 -0.464 40 0 BBABHN C[C@H]1Cn2nc(CO)cc2CN1CC(=N)NO ZINC000409433887 383830430 /nfs/dbraw/zinc/83/04/30/383830430.db2.gz NQJSFAGYBUBGST-ZETCQYMHSA-N 0 3 239.279 -0.464 40 0 BBABHN C[C@H](N)C(=O)N1C[C@@H]2CCC[C@]2(CO)C1 ZINC000409434142 383828558 /nfs/dbraw/zinc/82/85/58/383828558.db2.gz OHJVNOPUMXDNHY-ATZCPNFKSA-N 0 3 212.293 -0.045 40 0 BBABHN C[C@H](N)C(=O)N1C[C@H]2CCC[C@]2(CO)C1 ZINC000409434143 383830529 /nfs/dbraw/zinc/83/05/29/383830529.db2.gz OHJVNOPUMXDNHY-IQJOONFLSA-N 0 3 212.293 -0.045 40 0 BBABHN C[C@H](N)C(=O)N1C[C@H]2CCC[C@@]2(CO)C1 ZINC000409434144 383829214 /nfs/dbraw/zinc/82/92/14/383829214.db2.gz OHJVNOPUMXDNHY-NGZCFLSTSA-N 0 3 212.293 -0.045 40 0 BBABHN C[C@H](N)C(=O)N1C[C@@H]2CCC[C@@]2(CO)C1 ZINC000409434145 383830163 /nfs/dbraw/zinc/83/01/63/383830163.db2.gz OHJVNOPUMXDNHY-QXEWZRGKSA-N 0 3 212.293 -0.045 40 0 BBABHN C[C@@H](N)C(=O)N1C[C@@H](CO)C2(CCC2)C1 ZINC000409434162 383830483 /nfs/dbraw/zinc/83/04/83/383830483.db2.gz OIXIWCBCGFHMCB-BDAKNGLRSA-N 0 3 212.293 -0.045 40 0 BBABHN C[C@H](N)C(=O)N1C[C@H](CO)C2(CCC2)C1 ZINC000409434163 383829473 /nfs/dbraw/zinc/82/94/73/383829473.db2.gz OIXIWCBCGFHMCB-DTWKUNHWSA-N 0 3 212.293 -0.045 40 0 BBABHN C[C@H](N)C(=O)N1C[C@@H](CO)C2(CCC2)C1 ZINC000409434164 383829154 /nfs/dbraw/zinc/82/91/54/383829154.db2.gz OIXIWCBCGFHMCB-IUCAKERBSA-N 0 3 212.293 -0.045 40 0 BBABHN C[C@@H](N)C(=O)N1C[C@H](CO)C2(CCC2)C1 ZINC000409434165 383830084 /nfs/dbraw/zinc/83/00/84/383830084.db2.gz OIXIWCBCGFHMCB-RKDXNWHRSA-N 0 3 212.293 -0.045 40 0 BBABHN CNCC(=O)N1CC(F)(F)C[C@H]1CO ZINC000409434355 343831521 /nfs/dbraw/zinc/83/15/21/343831521.db2.gz OTVQLLPDIWSODS-LURJTMIESA-N 0 3 208.208 -0.566 40 0 BBABHN CNCC(=O)N1CC(F)(F)C[C@@H]1CO ZINC000409434357 343831532 /nfs/dbraw/zinc/83/15/32/343831532.db2.gz OTVQLLPDIWSODS-ZCFIWIBFSA-N 0 3 208.208 -0.566 40 0 BBABHN N=C(CN1CC[C@]2(C1)C[C@H](O)CCO2)NO ZINC000409434399 343831488 /nfs/dbraw/zinc/83/14/88/343831488.db2.gz PAGWCDVKQRYVNB-PSASIEDQSA-N 0 3 229.280 -0.442 40 0 BBABHN N=C(CN1CC[C@@]2(C1)C[C@H](O)CCO2)NO ZINC000409434400 343831565 /nfs/dbraw/zinc/83/15/65/343831565.db2.gz PAGWCDVKQRYVNB-SCZZXKLOSA-N 0 3 229.280 -0.442 40 0 BBABHN N=C(CN1CC[C@]2(C1)C[C@@H](O)CCO2)NO ZINC000409434401 343831603 /nfs/dbraw/zinc/83/16/03/343831603.db2.gz PAGWCDVKQRYVNB-WCBMZHEXSA-N 0 3 229.280 -0.442 40 0 BBABHN N=C(CN1CC[C@@]2(C1)C[C@@H](O)CCO2)NO ZINC000409434402 343831568 /nfs/dbraw/zinc/83/15/68/343831568.db2.gz PAGWCDVKQRYVNB-WPRPVWTQSA-N 0 3 229.280 -0.442 40 0 BBABHN NCC(=O)N1C[C@H](CO)C2(CCCC2)C1 ZINC000409434476 343831648 /nfs/dbraw/zinc/83/16/48/343831648.db2.gz PKJBNLCQOSHCRA-SECBINFHSA-N 0 3 212.293 -0.044 40 0 BBABHN NCC(=O)N1C[C@@H](CO)C2(CCCC2)C1 ZINC000409434478 343831660 /nfs/dbraw/zinc/83/16/60/343831660.db2.gz PKJBNLCQOSHCRA-VIFPVBQESA-N 0 3 212.293 -0.044 40 0 BBABHN N=C(CN1CCC[C@@]2(C[C@@H](O)CCO2)C1)NO ZINC000409434659 343834832 /nfs/dbraw/zinc/83/48/32/343834832.db2.gz QAHQZNZOUXFWJR-GXSJLCMTSA-N 0 3 243.307 -0.052 40 0 BBABHN N=C(CN1CCC[C@]2(C[C@H](O)CCO2)C1)NO ZINC000409434660 343834703 /nfs/dbraw/zinc/83/47/03/343834703.db2.gz QAHQZNZOUXFWJR-KOLCDFICSA-N 0 3 243.307 -0.052 40 0 BBABHN N=C(CN1CCC[C@@]2(C[C@H](O)CCO2)C1)NO ZINC000409434661 343834680 /nfs/dbraw/zinc/83/46/80/343834680.db2.gz QAHQZNZOUXFWJR-MWLCHTKSSA-N 0 3 243.307 -0.052 40 0 BBABHN N=C(CN1CCC[C@]2(C[C@@H](O)CCO2)C1)NO ZINC000409434662 343834669 /nfs/dbraw/zinc/83/46/69/343834669.db2.gz QAHQZNZOUXFWJR-ONGXEEELSA-N 0 3 243.307 -0.052 40 0 BBABHN CCO[C@@H]1CN(C(=O)[C@H](C)N)C[C@H]1OC ZINC000409434678 343835088 /nfs/dbraw/zinc/83/50/88/343835088.db2.gz QCXPVAHCOLXYOI-DJLDLDEBSA-N 0 3 216.281 -0.404 40 0 BBABHN CCO[C@@H]1CN(C(=O)[C@@H](C)N)C[C@@H]1OC ZINC000409434679 343835121 /nfs/dbraw/zinc/83/51/21/343835121.db2.gz QCXPVAHCOLXYOI-HRDYMLBCSA-N 0 3 216.281 -0.404 40 0 BBABHN CCO[C@@H]1CN(C(=O)[C@@H](C)N)C[C@H]1OC ZINC000409434680 343835116 /nfs/dbraw/zinc/83/51/16/343835116.db2.gz QCXPVAHCOLXYOI-IWSPIJDZSA-N 0 3 216.281 -0.404 40 0 BBABHN CCO[C@@H]1CN(C(=O)[C@H](C)N)C[C@@H]1OC ZINC000409434681 343834958 /nfs/dbraw/zinc/83/49/58/343834958.db2.gz QCXPVAHCOLXYOI-XHNCKOQMSA-N 0 3 216.281 -0.404 40 0 BBABHN CNCC(=O)N1CC[C@]2(C1)C[C@@H](O)CCO2 ZINC000409434823 383839295 /nfs/dbraw/zinc/83/92/95/383839295.db2.gz QTIBLSNHYRURTK-GXSJLCMTSA-N 0 3 228.292 -0.652 40 0 BBABHN CNCC(=O)N1CC[C@@]2(C1)C[C@H](O)CCO2 ZINC000409434824 383839484 /nfs/dbraw/zinc/83/94/84/383839484.db2.gz QTIBLSNHYRURTK-KOLCDFICSA-N 0 3 228.292 -0.652 40 0 BBABHN CNCC(=O)N1CC[C@]2(C1)C[C@H](O)CCO2 ZINC000409434825 383839825 /nfs/dbraw/zinc/83/98/25/383839825.db2.gz QTIBLSNHYRURTK-MWLCHTKSSA-N 0 3 228.292 -0.652 40 0 BBABHN CNCC(=O)N1CC[C@@]2(C1)C[C@@H](O)CCO2 ZINC000409434826 383838627 /nfs/dbraw/zinc/83/86/27/383838627.db2.gz QTIBLSNHYRURTK-ONGXEEELSA-N 0 3 228.292 -0.652 40 0 BBABHN CO[C@H]1CN(C(=O)CN)C[C@H]1n1cccn1 ZINC000409434857 383840386 /nfs/dbraw/zinc/84/03/86/383840386.db2.gz QYMGOEULWHAORF-BDAKNGLRSA-N 0 3 224.264 -0.760 40 0 BBABHN CO[C@@H]1CN(C(=O)CN)C[C@@H]1n1cccn1 ZINC000409434858 383839248 /nfs/dbraw/zinc/83/92/48/383839248.db2.gz QYMGOEULWHAORF-DTWKUNHWSA-N 0 3 224.264 -0.760 40 0 BBABHN CO[C@H]1CN(C(=O)CN)C[C@@H]1n1cccn1 ZINC000409434859 383839796 /nfs/dbraw/zinc/83/97/96/383839796.db2.gz QYMGOEULWHAORF-IUCAKERBSA-N 0 3 224.264 -0.760 40 0 BBABHN CO[C@@H]1CN(C(=O)CN)C[C@H]1n1cccn1 ZINC000409434860 383839968 /nfs/dbraw/zinc/83/99/68/383839968.db2.gz QYMGOEULWHAORF-RKDXNWHRSA-N 0 3 224.264 -0.760 40 0 BBABHN CNCC(=O)N1CC(OC)(C(F)(F)F)C1 ZINC000409434943 383842679 /nfs/dbraw/zinc/84/26/79/383842679.db2.gz RKPWXXYALWIKAR-UHFFFAOYSA-N 0 3 226.198 -0.005 40 0 BBABHN NCC(=O)N1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000409435015 343835349 /nfs/dbraw/zinc/83/53/49/343835349.db2.gz RZFMTXFPGFOCGQ-NTSWFWBYSA-N 0 3 226.198 -0.426 40 0 BBABHN NCC(=O)N1C[C@H](CO)[C@H](C(F)(F)F)C1 ZINC000409435016 343835754 /nfs/dbraw/zinc/83/57/54/343835754.db2.gz RZFMTXFPGFOCGQ-PHDIDXHHSA-N 0 3 226.198 -0.426 40 0 BBABHN NCC(=O)N1C[C@H](CO)[C@@H](C(F)(F)F)C1 ZINC000409435017 343835510 /nfs/dbraw/zinc/83/55/10/343835510.db2.gz RZFMTXFPGFOCGQ-RITPCOANSA-N 0 3 226.198 -0.426 40 0 BBABHN NCC(=O)N1C[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000409435018 343835501 /nfs/dbraw/zinc/83/55/01/343835501.db2.gz RZFMTXFPGFOCGQ-WDSKDSINSA-N 0 3 226.198 -0.426 40 0 BBABHN COC1(C(F)(F)F)CN(C(=O)CN)C1 ZINC000409435024 343835715 /nfs/dbraw/zinc/83/57/15/343835715.db2.gz SAVSBWVUFATBFU-UHFFFAOYSA-N 0 3 212.171 -0.265 40 0 BBABHN N=C(CN1CC[C@@H](O)[C@H](CCF)C1)NO ZINC000409435066 350479062 /nfs/dbraw/zinc/47/90/62/350479062.db2.gz SDHDLIVWAAXEID-HTQZYQBOSA-N 0 3 219.260 -0.015 40 0 BBABHN N=C(CN1CC[C@@H](O)[C@@H](CCF)C1)NO ZINC000409435067 343836225 /nfs/dbraw/zinc/83/62/25/343836225.db2.gz SDHDLIVWAAXEID-JGVFFNPUSA-N 0 3 219.260 -0.015 40 0 BBABHN N=C(CN1CC[C@H](O)[C@H](CCF)C1)NO ZINC000409435068 343836279 /nfs/dbraw/zinc/83/62/79/343836279.db2.gz SDHDLIVWAAXEID-SFYZADRCSA-N 0 3 219.260 -0.015 40 0 BBABHN N=C(CN1CC[C@H](O)[C@@H](CCF)C1)NO ZINC000409435069 343836263 /nfs/dbraw/zinc/83/62/63/343836263.db2.gz SDHDLIVWAAXEID-YUMQZZPRSA-N 0 3 219.260 -0.015 40 0 BBABHN C[C@H](N)C(=O)N1CC(F)(F)C[C@@H]1CO ZINC000409435114 343836386 /nfs/dbraw/zinc/83/63/86/343836386.db2.gz SKPSHRODKREJTE-NTSWFWBYSA-N 0 3 208.208 -0.438 40 0 BBABHN C[C@@H](N)C(=O)N1CC(F)(F)C[C@@H]1CO ZINC000409435115 343836123 /nfs/dbraw/zinc/83/61/23/343836123.db2.gz SKPSHRODKREJTE-PHDIDXHHSA-N 0 3 208.208 -0.438 40 0 BBABHN C[C@@H](N)C(=O)N1CC(F)(F)C[C@H]1CO ZINC000409435116 343836098 /nfs/dbraw/zinc/83/60/98/343836098.db2.gz SKPSHRODKREJTE-RITPCOANSA-N 0 3 208.208 -0.438 40 0 BBABHN C[C@H](N)C(=O)N1CC(F)(F)C[C@H]1CO ZINC000409435117 350479096 /nfs/dbraw/zinc/47/90/96/350479096.db2.gz SKPSHRODKREJTE-WDSKDSINSA-N 0 3 208.208 -0.438 40 0 BBABHN CO[C@H]1CN(CC(=N)NO)C[C@H]1n1cccn1 ZINC000409435145 343836230 /nfs/dbraw/zinc/83/62/30/343836230.db2.gz SQDVYVUNMHJHGI-BDAKNGLRSA-N 0 3 239.279 -0.289 40 0 BBABHN CO[C@@H]1CN(CC(=N)NO)C[C@@H]1n1cccn1 ZINC000409435146 343836129 /nfs/dbraw/zinc/83/61/29/343836129.db2.gz SQDVYVUNMHJHGI-DTWKUNHWSA-N 0 3 239.279 -0.289 40 0 BBABHN CO[C@H]1CN(CC(=N)NO)C[C@@H]1n1cccn1 ZINC000409435147 343836115 /nfs/dbraw/zinc/83/61/15/343836115.db2.gz SQDVYVUNMHJHGI-IUCAKERBSA-N 0 3 239.279 -0.289 40 0 BBABHN CO[C@@H]1CN(CC(=N)NO)C[C@H]1n1cccn1 ZINC000409435148 343835964 /nfs/dbraw/zinc/83/59/64/343835964.db2.gz SQDVYVUNMHJHGI-RKDXNWHRSA-N 0 3 239.279 -0.289 40 0 BBABHN CCO[C@@H]1CN(C(=O)[C@@H](C)N)C[C@@H]1OCC ZINC000409435191 343832747 /nfs/dbraw/zinc/83/27/47/343832747.db2.gz SUZLFXWAYLJYBA-BBBLOLIVSA-N 0 3 230.308 -0.014 40 0 BBABHN CCO[C@@H]1CN(C(=O)[C@H](C)N)C[C@H]1OCC ZINC000409435192 343832811 /nfs/dbraw/zinc/83/28/11/343832811.db2.gz SUZLFXWAYLJYBA-IVZWLZJFSA-N 0 3 230.308 -0.014 40 0 BBABHN CCO[C@@H]1CN(C(=O)[C@H](C)N)C[C@@H]1OCC ZINC000409435193 343832681 /nfs/dbraw/zinc/83/26/81/343832681.db2.gz SUZLFXWAYLJYBA-LPEHRKFASA-N 0 3 230.308 -0.014 40 0 BBABHN CCO[C@@H]1CN(C(=O)[C@@H](C)N)C[C@H]1OCC ZINC000409435194 343832651 /nfs/dbraw/zinc/83/26/51/343832651.db2.gz SUZLFXWAYLJYBA-OPRDCNLKSA-N 0 3 230.308 -0.014 40 0 BBABHN CO[C@@H]1CN(C(=O)[C@H](C)N)C[C@H]1n1cccn1 ZINC000409435201 343832509 /nfs/dbraw/zinc/83/25/09/343832509.db2.gz SXCHCLPPWLPTLQ-IVZWLZJFSA-N 0 3 238.291 -0.371 40 0 BBABHN CO[C@@H]1CN(C(=O)[C@@H](C)N)C[C@@H]1n1cccn1 ZINC000409435202 343832798 /nfs/dbraw/zinc/83/27/98/343832798.db2.gz SXCHCLPPWLPTLQ-KXUCPTDWSA-N 0 3 238.291 -0.371 40 0 BBABHN CO[C@@H]1CN(C(=O)[C@H](C)N)C[C@@H]1n1cccn1 ZINC000409435203 343832598 /nfs/dbraw/zinc/83/25/98/343832598.db2.gz SXCHCLPPWLPTLQ-LPEHRKFASA-N 0 3 238.291 -0.371 40 0 BBABHN CO[C@@H]1CN(C(=O)[C@@H](C)N)C[C@H]1n1cccn1 ZINC000409435204 343832674 /nfs/dbraw/zinc/83/26/74/343832674.db2.gz SXCHCLPPWLPTLQ-OPRDCNLKSA-N 0 3 238.291 -0.371 40 0 BBABHN NCC(=O)N1CC[C@@H](O)[C@H](CCF)C1 ZINC000409435262 383835313 /nfs/dbraw/zinc/83/53/13/383835313.db2.gz UAEQJXBEJKAQCG-HTQZYQBOSA-N 0 3 204.245 -0.486 40 0 BBABHN NCC(=O)N1CC[C@@H](O)[C@@H](CCF)C1 ZINC000409435263 383836771 /nfs/dbraw/zinc/83/67/71/383836771.db2.gz UAEQJXBEJKAQCG-JGVFFNPUSA-N 0 3 204.245 -0.486 40 0 BBABHN NCC(=O)N1CC[C@H](O)[C@H](CCF)C1 ZINC000409435264 383836470 /nfs/dbraw/zinc/83/64/70/383836470.db2.gz UAEQJXBEJKAQCG-SFYZADRCSA-N 0 3 204.245 -0.486 40 0 BBABHN NCC(=O)N1CC[C@H](O)[C@@H](CCF)C1 ZINC000409435265 383834928 /nfs/dbraw/zinc/83/49/28/383834928.db2.gz UAEQJXBEJKAQCG-YUMQZZPRSA-N 0 3 204.245 -0.486 40 0 BBABHN CNCC(=O)N1C[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000409435281 383837116 /nfs/dbraw/zinc/83/71/16/383837116.db2.gz UBKMFZWRQUROTI-BQBZGAKWSA-N 0 3 240.225 -0.165 40 0 BBABHN CNCC(=O)N1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000409435282 383835152 /nfs/dbraw/zinc/83/51/52/383835152.db2.gz UBKMFZWRQUROTI-NKWVEPMBSA-N 0 3 240.225 -0.165 40 0 BBABHN CNCC(=O)N1C[C@H](CO)[C@H](C(F)(F)F)C1 ZINC000409435283 383836354 /nfs/dbraw/zinc/83/63/54/383836354.db2.gz UBKMFZWRQUROTI-RNFRBKRXSA-N 0 3 240.225 -0.165 40 0 BBABHN CNCC(=O)N1C[C@H](CO)[C@@H](C(F)(F)F)C1 ZINC000409435284 383836665 /nfs/dbraw/zinc/83/66/65/383836665.db2.gz UBKMFZWRQUROTI-RQJHMYQMSA-N 0 3 240.225 -0.165 40 0 BBABHN CO[C@@H]1CN(CCO)C[C@H]1n1cccn1 ZINC000409435478 343833730 /nfs/dbraw/zinc/83/37/30/343833730.db2.gz UXDYSQZIUDLCLW-NXEZZACHSA-N 0 3 211.265 -0.253 40 0 BBABHN CO[C@H]1CN(CCO)C[C@@H]1n1cccn1 ZINC000409435479 343833679 /nfs/dbraw/zinc/83/36/79/343833679.db2.gz UXDYSQZIUDLCLW-UWVGGRQHSA-N 0 3 211.265 -0.253 40 0 BBABHN CO[C@@H]1CN(CCO)C[C@@H]1n1cccn1 ZINC000409435480 343833725 /nfs/dbraw/zinc/83/37/25/343833725.db2.gz UXDYSQZIUDLCLW-VHSXEESVSA-N 0 3 211.265 -0.253 40 0 BBABHN CO[C@H]1CN(CCO)C[C@H]1n1cccn1 ZINC000409435481 343833912 /nfs/dbraw/zinc/83/39/12/343833912.db2.gz UXDYSQZIUDLCLW-ZJUUUORDSA-N 0 3 211.265 -0.253 40 0 BBABHN NCC(=O)N1CCn2c(Cl)cnc2C1 ZINC000409435647 350136526 /nfs/dbraw/zinc/13/65/26/350136526.db2.gz VZKBCXGXZBMZFU-UHFFFAOYSA-N 0 3 214.656 -0.163 40 0 BBABHN CNCC(=O)N1C[C@@H](OC)[C@H](n2ccnc2)C1 ZINC000409435696 343839318 /nfs/dbraw/zinc/83/93/18/343839318.db2.gz WFBISVDWCKARBV-NXEZZACHSA-N 0 3 238.291 -0.499 40 0 BBABHN CNCC(=O)N1C[C@H](OC)[C@@H](n2ccnc2)C1 ZINC000409435697 343839180 /nfs/dbraw/zinc/83/91/80/343839180.db2.gz WFBISVDWCKARBV-UWVGGRQHSA-N 0 3 238.291 -0.499 40 0 BBABHN CNCC(=O)N1C[C@@H](OC)[C@@H](n2ccnc2)C1 ZINC000409435698 343839215 /nfs/dbraw/zinc/83/92/15/343839215.db2.gz WFBISVDWCKARBV-VHSXEESVSA-N 0 3 238.291 -0.499 40 0 BBABHN CNCC(=O)N1C[C@@H](n2ccnc2)[C@@H](OC)C1 ZINC000409435699 343839340 /nfs/dbraw/zinc/83/93/40/343839340.db2.gz WFBISVDWCKARBV-ZJUUUORDSA-N 0 3 238.291 -0.499 40 0 BBABHN CCO[C@@H]1CN(C(=O)[C@@H]2CCCCN2)C[C@@H]1O ZINC000409435709 343839304 /nfs/dbraw/zinc/83/93/04/343839304.db2.gz WGZZVGJJPAMZNE-GARJFASQSA-N 0 3 242.319 -0.263 40 0 BBABHN CCO[C@@H]1CN(C(=O)[C@H]2CCCCN2)C[C@H]1O ZINC000409435710 343839229 /nfs/dbraw/zinc/83/92/29/343839229.db2.gz WGZZVGJJPAMZNE-GMTAPVOTSA-N 0 3 242.319 -0.263 40 0 BBABHN CCO[C@@H]1CN(C(=O)[C@@H]2CCCCN2)C[C@H]1O ZINC000409435711 343839255 /nfs/dbraw/zinc/83/92/55/343839255.db2.gz WGZZVGJJPAMZNE-HBNTYKKESA-N 0 3 242.319 -0.263 40 0 BBABHN CCO[C@@H]1CN(C(=O)[C@H]2CCCCN2)C[C@@H]1O ZINC000409435712 343839209 /nfs/dbraw/zinc/83/92/09/343839209.db2.gz WGZZVGJJPAMZNE-OUAUKWLOSA-N 0 3 242.319 -0.263 40 0 BBABHN NCC(=O)N1CC[C@]2(C1)C[C@H](O)CCO2 ZINC000409435721 343839884 /nfs/dbraw/zinc/83/98/84/343839884.db2.gz WHKWXNSDMXLGMO-PSASIEDQSA-N 0 3 214.265 -0.913 40 0 BBABHN NCC(=O)N1CC[C@@]2(C1)C[C@H](O)CCO2 ZINC000409435722 343839963 /nfs/dbraw/zinc/83/99/63/343839963.db2.gz WHKWXNSDMXLGMO-SCZZXKLOSA-N 0 3 214.265 -0.913 40 0 BBABHN NCC(=O)N1CC[C@]2(C1)C[C@@H](O)CCO2 ZINC000409435723 343840201 /nfs/dbraw/zinc/84/02/01/343840201.db2.gz WHKWXNSDMXLGMO-WCBMZHEXSA-N 0 3 214.265 -0.913 40 0 BBABHN NCC(=O)N1CC[C@@]2(C1)C[C@@H](O)CCO2 ZINC000409435724 343839854 /nfs/dbraw/zinc/83/98/54/343839854.db2.gz WHKWXNSDMXLGMO-WPRPVWTQSA-N 0 3 214.265 -0.913 40 0 BBABHN CNCC(=O)N1Cc2cc(CO)nn2C[C@H]1C ZINC000409435914 343840831 /nfs/dbraw/zinc/84/08/31/343840831.db2.gz XHMNFPGBISTNJJ-MRVPVSSYSA-N 0 3 238.291 -0.675 40 0 BBABHN CNCC(=O)N1Cc2cc(CO)nn2C[C@@H]1C ZINC000409435915 343840530 /nfs/dbraw/zinc/84/05/30/343840530.db2.gz XHMNFPGBISTNJJ-QMMMGPOBSA-N 0 3 238.291 -0.675 40 0 BBABHN CNCC(=O)N1C[C@@H]2CCC[C@]2(CO)C1 ZINC000409435926 343840819 /nfs/dbraw/zinc/84/08/19/343840819.db2.gz XJENKNSTIQDNGD-GXSJLCMTSA-N 0 3 212.293 -0.173 40 0 BBABHN CNCC(=O)N1C[C@H]2CCC[C@@]2(CO)C1 ZINC000409435927 343840730 /nfs/dbraw/zinc/84/07/30/343840730.db2.gz XJENKNSTIQDNGD-KOLCDFICSA-N 0 3 212.293 -0.173 40 0 BBABHN CNCC(=O)N1C[C@H]2CCC[C@]2(CO)C1 ZINC000409435928 343840837 /nfs/dbraw/zinc/84/08/37/343840837.db2.gz XJENKNSTIQDNGD-MWLCHTKSSA-N 0 3 212.293 -0.173 40 0 BBABHN CNCC(=O)N1C[C@@H]2CCC[C@@]2(CO)C1 ZINC000409435929 343840545 /nfs/dbraw/zinc/84/05/45/343840545.db2.gz XJENKNSTIQDNGD-ONGXEEELSA-N 0 3 212.293 -0.173 40 0 BBABHN NCC(=O)N1CC[C@@H](O)[C@H](CC2CC2)C1 ZINC000409436000 343836501 /nfs/dbraw/zinc/83/65/01/343836501.db2.gz XQMJZQPESQJUSV-NXEZZACHSA-N 0 3 212.293 -0.045 40 0 BBABHN NCC(=O)N1CC[C@H](O)[C@@H](CC2CC2)C1 ZINC000409436001 343836932 /nfs/dbraw/zinc/83/69/32/343836932.db2.gz XQMJZQPESQJUSV-UWVGGRQHSA-N 0 3 212.293 -0.045 40 0 BBABHN NCC(=O)N1CC[C@@H](O)[C@@H](CC2CC2)C1 ZINC000409436002 343836826 /nfs/dbraw/zinc/83/68/26/343836826.db2.gz XQMJZQPESQJUSV-VHSXEESVSA-N 0 3 212.293 -0.045 40 0 BBABHN NCC(=O)N1CC[C@H](O)[C@H](CC2CC2)C1 ZINC000409436003 343836745 /nfs/dbraw/zinc/83/67/45/343836745.db2.gz XQMJZQPESQJUSV-ZJUUUORDSA-N 0 3 212.293 -0.045 40 0 BBABHN NCC(=O)N1CC[C@@](CO)(C(F)(F)F)C1 ZINC000409436023 343836694 /nfs/dbraw/zinc/83/66/94/343836694.db2.gz XRRFUAHKZACURE-SSDOTTSWSA-N 0 3 226.198 -0.282 40 0 BBABHN NCC(=O)N1CC[C@](CO)(C(F)(F)F)C1 ZINC000409436024 343836710 /nfs/dbraw/zinc/83/67/10/343836710.db2.gz XRRFUAHKZACURE-ZETCQYMHSA-N 0 3 226.198 -0.282 40 0 BBABHN CO[C@@H]1CN(C(=O)[C@H](C)N)C[C@H]1n1ccnc1 ZINC000409436039 343836654 /nfs/dbraw/zinc/83/66/54/343836654.db2.gz XVMOLFGBULQMRX-IVZWLZJFSA-N 0 3 238.291 -0.371 40 0 BBABHN CO[C@@H]1CN(C(=O)[C@@H](C)N)C[C@@H]1n1ccnc1 ZINC000409436040 343836726 /nfs/dbraw/zinc/83/67/26/343836726.db2.gz XVMOLFGBULQMRX-KXUCPTDWSA-N 0 3 238.291 -0.371 40 0 BBABHN CO[C@@H]1CN(C(=O)[C@H](C)N)C[C@@H]1n1ccnc1 ZINC000409436041 343836562 /nfs/dbraw/zinc/83/65/62/343836562.db2.gz XVMOLFGBULQMRX-LPEHRKFASA-N 0 3 238.291 -0.371 40 0 BBABHN CO[C@@H]1CN(C(=O)[C@@H](C)N)C[C@H]1n1ccnc1 ZINC000409436042 343836760 /nfs/dbraw/zinc/83/67/60/343836760.db2.gz XVMOLFGBULQMRX-OPRDCNLKSA-N 0 3 238.291 -0.371 40 0 BBABHN CO[C@H]1CN(C(=O)CN)C[C@H]1n1ccnc1 ZINC000409436085 343836660 /nfs/dbraw/zinc/83/66/60/343836660.db2.gz XZYRWAQXGDGXSA-BDAKNGLRSA-N 0 3 224.264 -0.760 40 0 BBABHN CO[C@@H]1CN(C(=O)CN)C[C@@H]1n1ccnc1 ZINC000409436086 343836718 /nfs/dbraw/zinc/83/67/18/343836718.db2.gz XZYRWAQXGDGXSA-DTWKUNHWSA-N 0 3 224.264 -0.760 40 0 BBABHN CO[C@H]1CN(C(=O)CN)C[C@@H]1n1ccnc1 ZINC000409436087 343837209 /nfs/dbraw/zinc/83/72/09/343837209.db2.gz XZYRWAQXGDGXSA-IUCAKERBSA-N 0 3 224.264 -0.760 40 0 BBABHN CO[C@@H]1CN(C(=O)CN)C[C@H]1n1ccnc1 ZINC000409436088 343837192 /nfs/dbraw/zinc/83/71/92/343837192.db2.gz XZYRWAQXGDGXSA-RKDXNWHRSA-N 0 3 224.264 -0.760 40 0 BBABHN CCO[C@@H]1CN(C(=O)CN)C[C@H]1OC ZINC000409436118 343837620 /nfs/dbraw/zinc/83/76/20/343837620.db2.gz YGKATBNXJKQPCK-HTQZYQBOSA-N 0 3 202.254 -0.793 40 0 BBABHN CCO[C@@H]1CN(C(=O)CN)C[C@@H]1OC ZINC000409436119 343837449 /nfs/dbraw/zinc/83/74/49/343837449.db2.gz YGKATBNXJKQPCK-JGVFFNPUSA-N 0 3 202.254 -0.793 40 0 BBABHN CCO[C@H]1CN(C(=O)CN)C[C@H]1OC ZINC000409436120 343837609 /nfs/dbraw/zinc/83/76/09/343837609.db2.gz YGKATBNXJKQPCK-SFYZADRCSA-N 0 3 202.254 -0.793 40 0 BBABHN CCO[C@H]1CN(C(=O)CN)C[C@@H]1OC ZINC000409436121 343837342 /nfs/dbraw/zinc/83/73/42/343837342.db2.gz YGKATBNXJKQPCK-YUMQZZPRSA-N 0 3 202.254 -0.793 40 0 BBABHN CNCC(=O)N(CCOC)C1CCOCC1 ZINC000409436172 343838053 /nfs/dbraw/zinc/83/80/53/343838053.db2.gz YMAFFCXJVZUJIJ-UHFFFAOYSA-N 0 3 230.308 -0.140 40 0 BBABHN CC[C@@H]1CN(C(=O)[C@H](C)N)CC[C@H]1O ZINC000409436265 343838060 /nfs/dbraw/zinc/83/80/60/343838060.db2.gz YXMIIMQWNHIVOE-DJLDLDEBSA-N 0 3 200.282 -0.047 40 0 BBABHN CC[C@@H]1CN(C(=O)[C@@H](C)N)CC[C@@H]1O ZINC000409436266 343838039 /nfs/dbraw/zinc/83/80/39/343838039.db2.gz YXMIIMQWNHIVOE-HLTSFMKQSA-N 0 3 200.282 -0.047 40 0 BBABHN CC[C@@H]1CN(C(=O)[C@@H](C)N)CC[C@H]1O ZINC000409436267 343837999 /nfs/dbraw/zinc/83/79/99/343837999.db2.gz YXMIIMQWNHIVOE-IWSPIJDZSA-N 0 3 200.282 -0.047 40 0 BBABHN CC[C@@H]1CN(C(=O)[C@H](C)N)CC[C@@H]1O ZINC000409436268 343838005 /nfs/dbraw/zinc/83/80/05/343838005.db2.gz YXMIIMQWNHIVOE-YIZRAAEISA-N 0 3 200.282 -0.047 40 0 BBABHN N=C(CN1CC(O)(C(F)(F)F)C1)NO ZINC000409436269 350478534 /nfs/dbraw/zinc/47/85/34/350478534.db2.gz YXYMAARMDNXPNA-UHFFFAOYSA-N 0 3 213.159 -0.449 40 0 BBABHN CNCC(=O)N1CC[C@H](O)[C@H](CCF)C1 ZINC000409436318 343838763 /nfs/dbraw/zinc/83/87/63/343838763.db2.gz ZFIYWXUPDPAPEZ-BDAKNGLRSA-N 0 3 218.272 -0.225 40 0 BBABHN CNCC(=O)N1CC[C@@H](O)[C@@H](CCF)C1 ZINC000409436319 343838623 /nfs/dbraw/zinc/83/86/23/343838623.db2.gz ZFIYWXUPDPAPEZ-DTWKUNHWSA-N 0 3 218.272 -0.225 40 0 BBABHN CNCC(=O)N1CC[C@H](O)[C@@H](CCF)C1 ZINC000409436320 343838463 /nfs/dbraw/zinc/83/84/63/343838463.db2.gz ZFIYWXUPDPAPEZ-IUCAKERBSA-N 0 3 218.272 -0.225 40 0 BBABHN CNCC(=O)N1CC[C@@H](O)[C@H](CCF)C1 ZINC000409436321 343838699 /nfs/dbraw/zinc/83/86/99/343838699.db2.gz ZFIYWXUPDPAPEZ-RKDXNWHRSA-N 0 3 218.272 -0.225 40 0 BBABHN OCCN1CC[C@]2(C1)C[C@H](O)CCO2 ZINC000409436345 343838659 /nfs/dbraw/zinc/83/86/59/343838659.db2.gz ZLWBVRORLRPVBI-NXEZZACHSA-N 0 3 201.266 -0.406 40 0 BBABHN OCCN1CC[C@@]2(C1)C[C@@H](O)CCO2 ZINC000409436346 343838560 /nfs/dbraw/zinc/83/85/60/343838560.db2.gz ZLWBVRORLRPVBI-UWVGGRQHSA-N 0 3 201.266 -0.406 40 0 BBABHN OCCN1CC[C@]2(C1)C[C@@H](O)CCO2 ZINC000409436347 343838628 /nfs/dbraw/zinc/83/86/28/343838628.db2.gz ZLWBVRORLRPVBI-VHSXEESVSA-N 0 3 201.266 -0.406 40 0 BBABHN OCCN1CC[C@@]2(C1)C[C@H](O)CCO2 ZINC000409436348 343838541 /nfs/dbraw/zinc/83/85/41/343838541.db2.gz ZLWBVRORLRPVBI-ZJUUUORDSA-N 0 3 201.266 -0.406 40 0 BBABHN CNCC(=O)N1C[C@H](CO)C2(CCC2)C1 ZINC000409436373 343838595 /nfs/dbraw/zinc/83/85/95/343838595.db2.gz ZNZZNQNIXZYAPR-SECBINFHSA-N 0 3 212.293 -0.173 40 0 BBABHN CNCC(=O)N1C[C@@H](CO)C2(CCC2)C1 ZINC000409436374 343838732 /nfs/dbraw/zinc/83/87/32/343838732.db2.gz ZNZZNQNIXZYAPR-VIFPVBQESA-N 0 3 212.293 -0.173 40 0 BBABHN CNCC(=O)N1CCC[C@@]2(C[C@@H](O)CCO2)C1 ZINC000409436422 343837614 /nfs/dbraw/zinc/83/76/14/343837614.db2.gz ZRADLXURXQRXNZ-CMPLNLGQSA-N 0 3 242.319 -0.262 40 0 BBABHN CNCC(=O)N1CCC[C@]2(C[C@@H](O)CCO2)C1 ZINC000409436423 343837417 /nfs/dbraw/zinc/83/74/17/343837417.db2.gz ZRADLXURXQRXNZ-JQWIXIFHSA-N 0 3 242.319 -0.262 40 0 BBABHN CNCC(=O)N1CCC[C@]2(C[C@H](O)CCO2)C1 ZINC000409436424 343837199 /nfs/dbraw/zinc/83/71/99/343837199.db2.gz ZRADLXURXQRXNZ-PWSUYJOCSA-N 0 3 242.319 -0.262 40 0 BBABHN CNCC(=O)N1CCC[C@@]2(C[C@H](O)CCO2)C1 ZINC000409436425 343837479 /nfs/dbraw/zinc/83/74/79/343837479.db2.gz ZRADLXURXQRXNZ-ZYHUDNBSSA-N 0 3 242.319 -0.262 40 0 BBABHN NCc1cncc(N2CCOCC2=O)c1 ZINC000409442453 343858466 /nfs/dbraw/zinc/85/84/66/343858466.db2.gz VHMZINZYBDIFPT-UHFFFAOYSA-N 0 3 207.233 -0.097 40 0 BBABHN [NH3+]CCc1noc(-c2c[nH]c(=O)[n-]c2=O)n1 ZINC000409443216 343866075 /nfs/dbraw/zinc/86/60/75/343866075.db2.gz JDLRWZHGOGIPOH-UHFFFAOYSA-N 0 3 223.192 -0.561 40 0 BBABHN NCc1cc(-c2cnccn2)nn1CCO ZINC000409443887 343863512 /nfs/dbraw/zinc/86/35/12/343863512.db2.gz WBWLOJWZHDVECY-UHFFFAOYSA-N 0 3 219.248 -0.209 40 0 BBABHN [NH3+]CCc1nc(-c2c[nH]c(=O)[n-]c2=O)no1 ZINC000409444032 343863770 /nfs/dbraw/zinc/86/37/70/343863770.db2.gz ZCETYFNYHIKEJM-UHFFFAOYSA-N 0 3 223.192 -0.561 40 0 BBABHN CCN(CC)C[C@@H]1OC[C@H](NC(C)=O)[C@H]1O ZINC000514288406 384404663 /nfs/dbraw/zinc/40/46/63/384404663.db2.gz CWCGIXSGSYDDQR-GARJFASQSA-N 0 3 230.308 -0.407 40 0 biogenic,in-vitro BBABHN CCN(CC)C[C@@H]1OC[C@@H](NC(C)=O)[C@H]1O ZINC000514288407 384404476 /nfs/dbraw/zinc/40/44/76/384404476.db2.gz CWCGIXSGSYDDQR-OUAUKWLOSA-N 0 3 230.308 -0.407 40 0 biogenic,in-vitro BBABHN CCCCN(C)C[C@@H]1OC[C@H](NC(C)=O)[C@H]1O ZINC000514288667 384403699 /nfs/dbraw/zinc/40/36/99/384403699.db2.gz KDKHOBOXMOKJEU-SDDRHHMPSA-N 0 3 244.335 -0.017 40 0 biogenic,in-vitro BBABHN O=S1(=O)N[C@@H]2CNC[C@@H]2Oc2ccccc21 ZINC000514290362 384405848 /nfs/dbraw/zinc/40/58/48/384405848.db2.gz YQCSBNFEGUEBMX-APPZFPTMSA-N 0 3 240.284 -0.302 40 0 biogenic,in-vitro BBABHN CCn1ncc(N2CCNCC2)cc1=O ZINC000575415184 387023672 /nfs/dbraw/zinc/02/36/72/387023672.db2.gz UEVVEKFZOJGSDV-UHFFFAOYSA-N 0 3 208.265 -0.327 40 0 BBABHN Cc1cnn(-c2ccc(=O)n(CCN)n2)c1 ZINC000575622750 343875230 /nfs/dbraw/zinc/87/52/30/343875230.db2.gz UJZUNVFVLIJPGZ-UHFFFAOYSA-N 0 3 219.248 -0.304 40 0 BBABHN N[C@@H]1c2nc3ccccc3cc2[C@H](N)[C@@H](O)[C@H]1O ZINC000575624157 491098150 /nfs/dbraw/zinc/09/81/50/491098150.db2.gz ONHAATWQBQLHNR-YGNMPJRFSA-N 0 3 245.282 -0.030 40 0 BBABHN CC(C)(C)OC(=O)C[C@@H](N)C1(O)COC1 ZINC000584883983 369028884 /nfs/dbraw/zinc/02/88/84/369028884.db2.gz IFJWNKSGGWAKOS-SSDOTTSWSA-N 0 3 217.265 -0.193 40 0 BBABHN CC(C)(C)OC(=O)C[C@H](N)C1(O)COC1 ZINC000584883984 369028566 /nfs/dbraw/zinc/02/85/66/369028566.db2.gz IFJWNKSGGWAKOS-ZETCQYMHSA-N 0 3 217.265 -0.193 40 0 BBABHN Fc1cnc(N2CCNCC2)n2cnnc12 ZINC000584904553 346641264 /nfs/dbraw/zinc/64/12/64/346641264.db2.gz IVNOYAZQLUMEOZ-UHFFFAOYSA-N 0 3 222.227 -0.327 40 0 BBABHN CN(C)C(=O)CN1CCC[C@@]2(CN(C)C2=O)C1 ZINC000585099289 344131899 /nfs/dbraw/zinc/13/18/99/344131899.db2.gz BOUIBXHPOVWAOA-GFCCVEGCSA-N 0 3 239.319 -0.371 40 0 BBABHN CN(C)C(=O)CN1CCC[C@]2(CN(C)C2=O)C1 ZINC000585099290 344131720 /nfs/dbraw/zinc/13/17/20/344131720.db2.gz BOUIBXHPOVWAOA-LBPRGKRZSA-N 0 3 239.319 -0.371 40 0 BBABHN CNC(=O)[C@@H]1COC2(CNC2)CN1CC1CC1 ZINC000585109589 344135594 /nfs/dbraw/zinc/13/55/94/344135594.db2.gz XVYYAUNMFPQMGS-JTQLQIEISA-N 0 3 239.319 -0.815 40 0 BBABHN CNC(=O)[C@H]1COC2(CNC2)CN1CC1CC1 ZINC000585109591 344135508 /nfs/dbraw/zinc/13/55/08/344135508.db2.gz XVYYAUNMFPQMGS-SNVBAGLBSA-N 0 3 239.319 -0.815 40 0 BBABHN CNC(=O)CN1CCC[C@]1(COC)CC(N)=O ZINC000585275623 344396955 /nfs/dbraw/zinc/39/69/55/344396955.db2.gz HNJUHWBAJQSUKT-LLVKDONJSA-N 0 3 243.307 -0.911 40 0 BBABHN CNC(=O)CN1CCC[C@@]1(COC)CC(N)=O ZINC000585275628 344397380 /nfs/dbraw/zinc/39/73/80/344397380.db2.gz HNJUHWBAJQSUKT-NSHDSACASA-N 0 3 243.307 -0.911 40 0 BBABHN CO[C@@H]1CC[C@@H](NC(=O)/C=C/CN(C)C)[C@H]1O ZINC000585289298 344403047 /nfs/dbraw/zinc/40/30/47/344403047.db2.gz HSKJQBDJRVUKLU-NPXVAWEMSA-N 0 3 242.319 -0.241 40 0 BBABHN C[C@H]1[C@H](O)[C@H](O)[C@@H](CO)N1Cc1ccccc1 ZINC000585293472 344405632 /nfs/dbraw/zinc/40/56/32/344405632.db2.gz XUPHZDINVZBXPF-ZBAXXZLZSA-N 0 3 237.299 -0.027 40 0 BBABHN CC(C)(C)OC(=O)[C@@H](N)[C@@]1(N)CCOC1 ZINC000602985547 351865419 /nfs/dbraw/zinc/86/54/19/351865419.db2.gz BNYSKXGRSHDHEH-GMSGAONNSA-N 0 3 216.281 -0.227 40 0 BBABHN CC(C)(C)OC(=O)[C@H](N)[C@@]1(N)CCOC1 ZINC000602985548 351866283 /nfs/dbraw/zinc/86/62/83/351866283.db2.gz BNYSKXGRSHDHEH-OIBJUYFYSA-N 0 3 216.281 -0.227 40 0 BBABHN CC(C)(C)OC(=O)[C@@H](N)[C@]1(N)CCOC1 ZINC000602985549 351866037 /nfs/dbraw/zinc/86/60/37/351866037.db2.gz BNYSKXGRSHDHEH-XCBNKYQSSA-N 0 3 216.281 -0.227 40 0 BBABHN CC(C)(C)OC(=O)[C@H](N)[C@]1(N)CCOC1 ZINC000602985550 351866093 /nfs/dbraw/zinc/86/60/93/351866093.db2.gz BNYSKXGRSHDHEH-XVKPBYJWSA-N 0 3 216.281 -0.227 40 0 BBABHN CN(C)CCNC(=O)c1c(N)cnn1CCF ZINC000685936194 538757439 /nfs/dbraw/zinc/75/74/39/538757439.db2.gz JPLZTWJKPSKKMU-UHFFFAOYSA-N 0 3 243.286 -0.274 40 0 BBABHN CN(C)CCNC(=O)c1nn(CCF)cc1N ZINC000685936252 538754978 /nfs/dbraw/zinc/75/49/78/538754978.db2.gz MUAJOQCDTMALIH-UHFFFAOYSA-N 0 3 243.286 -0.274 40 0 BBABHN CCOC(=O)N1CC[C@](C)(O)[C@H](N)C1 ZINC000685936340 538754016 /nfs/dbraw/zinc/75/40/16/538754016.db2.gz RROFFSHOJGSARN-APPZFPTMSA-N 0 3 202.254 -0.073 40 0 BBABHN CCOC(=O)N1CC[C@](C)(O)[C@@H](N)C1 ZINC000685936341 538755471 /nfs/dbraw/zinc/75/54/71/538755471.db2.gz RROFFSHOJGSARN-CBAPKCEASA-N 0 3 202.254 -0.073 40 0 BBABHN CCOC(=O)N1CC[C@@](C)(O)[C@@H](N)C1 ZINC000685936342 538754359 /nfs/dbraw/zinc/75/43/59/538754359.db2.gz RROFFSHOJGSARN-IONNQARKSA-N 0 3 202.254 -0.073 40 0 BBABHN CCOC(=O)N1CC[C@@](C)(O)[C@H](N)C1 ZINC000685936343 538754094 /nfs/dbraw/zinc/75/40/94/538754094.db2.gz RROFFSHOJGSARN-VXNVDRBHSA-N 0 3 202.254 -0.073 40 0 BBABHN