smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC[C@H](C(=O)NC1CC[NH+](C)CC1)[NH+](C)C ZINC000161290348 323075905 /nfs/dbraw/zinc/07/59/05/323075905.db2.gz DUMPNHZDVAMPNK-GFCCVEGCSA-N 1 0 241.379 0.927 10 70 BCIERO CC(C)CCO[C@H]1CCN(C(=O)C[NH3+])C1 ZINC000160812420 386185787 /nfs/dbraw/zinc/18/57/87/386185787.db2.gz SNHIGGFCGDZHEL-JTQLQIEISA-N 1 0 214.309 0.609 10 70 BCIERO C[C@H](NC(=O)[C@H]1CC[NH2+]C1)[C@@H]1CCCO1 ZINC000218253668 134252685 /nfs/dbraw/zinc/25/26/85/134252685.db2.gz ZQYSGDDMOQARKB-GUBZILKMSA-N 1 0 212.293 0.280 10 70 BCIERO COCC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000160488196 323069167 /nfs/dbraw/zinc/06/91/67/323069167.db2.gz NFLTYVIDLUUNBJ-LLVKDONJSA-N 1 0 228.336 0.869 10 70 BCIERO [NH3+][C@H]1CCC[C@H](NC(=O)[C@@H]2CCCO2)C1 ZINC000161199436 487484595 /nfs/dbraw/zinc/48/45/95/487484595.db2.gz WXDAUXCJFYUEDW-GUBZILKMSA-N 1 0 212.293 0.552 10 70 BCIERO CC(C)S(=O)(=O)CCN1CCC[NH2+]CC1 ZINC000216878171 535093005 /nfs/dbraw/zinc/09/30/05/535093005.db2.gz KPSQRESAIGRQRA-UHFFFAOYSA-N 1 0 234.365 0.105 10 70 BCIERO C[C@H]1C[C@H]1CNC(=O)C1([NH3+])CCOCC1 ZINC000159666165 361279357 /nfs/dbraw/zinc/27/93/57/361279357.db2.gz JEUWEDZNOOIZJO-IUCAKERBSA-N 1 0 212.293 0.267 10 70 BCIERO CC[C@](C)(O)C[N@H+](C)CCn1cccn1 ZINC000161059907 384460377 /nfs/dbraw/zinc/46/03/77/384460377.db2.gz UCZXMEZAZHLNJY-NSHDSACASA-N 1 0 211.309 0.976 10 70 BCIERO CC[C@@H](O)CN1CC[NH+](C[C@@](C)(O)CC)CC1 ZINC000161296190 384962268 /nfs/dbraw/zinc/96/22/68/384962268.db2.gz PZHKDKFWNKTMIA-OLZOCXBDSA-N 1 0 244.379 0.536 10 70 BCIERO Cc1cc(C)c(C(=O)N2CC[C@@H]([NH3+])C2)[nH]1 ZINC000160277645 177843170 /nfs/dbraw/zinc/84/31/70/177843170.db2.gz OTGVDRKRLOWDTQ-SECBINFHSA-N 1 0 207.277 0.805 10 70 BCIERO CCC[C@@H](O)C[NH2+]Cc1cnn(C)c1C ZINC000160146240 388047444 /nfs/dbraw/zinc/04/74/44/388047444.db2.gz XQVZMBOLJMNSGK-LLVKDONJSA-N 1 0 211.309 0.979 10 70 BCIERO COC(=O)[C@H](C)C[N@@H+]1CC[C@H](CCO)C1 ZINC000159708676 134786865 /nfs/dbraw/zinc/78/68/65/134786865.db2.gz QJGKUOLKCMZHCQ-NXEZZACHSA-N 1 0 215.293 0.500 10 70 BCIERO CC(C)S(=O)(=O)CCN(C)[C@@H]1CC[NH2+]C1 ZINC000216877393 167318263 /nfs/dbraw/zinc/31/82/63/167318263.db2.gz RXCSIGIVTRASRW-SNVBAGLBSA-N 1 0 234.365 0.103 10 70 BCIERO C[C@@H]1COC[C@@H](C)N1C(=O)C[C@@H]1CCC[NH2+]1 ZINC000160521391 176345970 /nfs/dbraw/zinc/34/59/70/176345970.db2.gz FXEGBVUFNDBGBV-MXWKQRLJSA-N 1 0 226.320 0.764 10 70 BCIERO CCOC(=O)NCCC(=O)N1CCC[C@@H]1C[NH3+] ZINC000160318018 323064845 /nfs/dbraw/zinc/06/48/45/323064845.db2.gz JBYCRCSBZBASRX-SECBINFHSA-N 1 0 243.307 0.072 10 70 BCIERO CCC[C@@H](C(=O)NCCCOC)[NH+](C)C ZINC000161163250 323149565 /nfs/dbraw/zinc/14/95/65/323149565.db2.gz ICIAYPAPTJYNQN-JTQLQIEISA-N 1 0 216.325 0.869 10 70 BCIERO CC[C@](C)(O)C[N@@H+]1CCC[C@H](CC(N)=O)C1 ZINC000161372524 384986740 /nfs/dbraw/zinc/98/67/40/384986740.db2.gz NTQRDELDASHLSI-PWSUYJOCSA-N 1 0 228.336 0.735 10 70 BCIERO CC[C@@H](O)CN1CC[NH+](C[C@](C)(O)CC)CC1 ZINC000161295990 384961610 /nfs/dbraw/zinc/96/16/10/384961610.db2.gz PZHKDKFWNKTMIA-CHWSQXEVSA-N 1 0 244.379 0.536 10 70 BCIERO CC1(C)CC[C@@H](Cn2cc(C[NH3+])nn2)O1 ZINC000159603504 385988919 /nfs/dbraw/zinc/98/89/19/385988919.db2.gz UPPQXUOQOPMDIA-VIFPVBQESA-N 1 0 210.281 0.694 10 70 BCIERO CC(C)CCO[C@@H]1CCN(C(=O)[C@H](C)[NH3+])C1 ZINC000160812142 386184099 /nfs/dbraw/zinc/18/40/99/386184099.db2.gz HTQGVDVDNZMOJB-WDEREUQCSA-N 1 0 228.336 0.997 10 70 BCIERO C[C@@H](NC(=O)[C@H]1CC[NH2+]C1)[C@@H]1CCCO1 ZINC000218253610 134252702 /nfs/dbraw/zinc/25/27/02/134252702.db2.gz ZQYSGDDMOQARKB-UTLUCORTSA-N 1 0 212.293 0.280 10 70 BCIERO CC(C)S(=O)(=O)CCN1CC[C@H](C[NH3+])C1 ZINC000216877672 167317190 /nfs/dbraw/zinc/31/71/90/167317190.db2.gz WSLSSTDYMRPUOP-SNVBAGLBSA-N 1 0 234.365 0.090 10 70 BCIERO CC(C)S(=O)(=O)CCN1CCC([NH3+])CC1 ZINC000216878114 167318641 /nfs/dbraw/zinc/31/86/41/167318641.db2.gz YZRVFPCWZQWFCS-UHFFFAOYSA-N 1 0 234.365 0.233 10 70 BCIERO CCOC(=O)[C@H](N)CC[N@@H+]1CC[C@@H](C)C1 ZINC000218625989 170274098 /nfs/dbraw/zinc/27/40/98/170274098.db2.gz WFFLELUKGSLUQY-NXEZZACHSA-N 1 0 214.309 0.609 10 70 BCIERO CCC[C@@H](C(=O)NCCOC)[NH+](C)C ZINC000161132725 323148838 /nfs/dbraw/zinc/14/88/38/323148838.db2.gz XNOCWJODARJPQM-VIFPVBQESA-N 1 0 202.298 0.479 10 70 BCIERO CC[C@@](C)(O)C[N@@H+]1CC[C@H](CCO)C1 ZINC000159742946 536003775 /nfs/dbraw/zinc/00/37/75/536003775.db2.gz WGZPKGOPEJKUIW-GHMZBOCLSA-N 1 0 201.310 0.852 10 70 BCIERO CC(C)(C)CCCNC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000160537909 345504445 /nfs/dbraw/zinc/50/44/45/345504445.db2.gz RGXWCWKINJPHNI-NXEZZACHSA-N 1 0 228.336 0.652 10 70 BCIERO CNC(=O)CCC[N@@H+]1CC[C@@H](CCO)C1 ZINC000159770478 346263080 /nfs/dbraw/zinc/26/30/80/346263080.db2.gz JEBAJFXDKUOMCV-JTQLQIEISA-N 1 0 214.309 0.217 10 70 BCIERO CNC(=O)CCC[N@@H+]1CC[C@H](CCO)C1 ZINC000159770331 346263134 /nfs/dbraw/zinc/26/31/34/346263134.db2.gz JEBAJFXDKUOMCV-SNVBAGLBSA-N 1 0 214.309 0.217 10 70 BCIERO CO[C@]1(CN2CC[N@@H+]3CCC[C@@H]3C2)CCOC1 ZINC000161383113 346487134 /nfs/dbraw/zinc/48/71/34/346487134.db2.gz USTIBXJQEFDSKG-OLZOCXBDSA-N 1 0 240.347 0.572 10 70 BCIERO CO[C@@]1(CN2CC[N@@H+]3CCC[C@@H]3C2)CCOC1 ZINC000161383208 362811052 /nfs/dbraw/zinc/81/10/52/362811052.db2.gz USTIBXJQEFDSKG-CHWSQXEVSA-N 1 0 240.347 0.572 10 70 BCIERO COCc1ccc(C(=O)N2CCC[C@@H]2C[NH3+])o1 ZINC000160164842 188047336 /nfs/dbraw/zinc/04/73/36/188047336.db2.gz XQXSLQZHOCKOAG-SECBINFHSA-N 1 0 238.287 0.989 10 70 BCIERO CO[C@@H](C)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000160596634 357108358 /nfs/dbraw/zinc/10/83/58/357108358.db2.gz WZYFZMYHUGTQLI-DTWKUNHWSA-N 1 0 200.282 0.184 10 70 BCIERO [NH3+]C[C@@H]1CCCN1C(=O)CC[C@@H]1CCOC1 ZINC000160294252 181430060 /nfs/dbraw/zinc/43/00/60/181430060.db2.gz ASLYLLDQPBYXPN-MNOVXSKESA-N 1 0 226.320 0.753 10 70 BCIERO C[NH+](C)[C@H]1CCN(C(=O)N[C@@H]2CCOC2)C1 ZINC000159548302 388020536 /nfs/dbraw/zinc/02/05/36/388020536.db2.gz BWCBEAOOGCAEBC-ZJUUUORDSA-N 1 0 227.308 0.121 10 70 BCIERO C[NH+](C)[C@@H]1CCN(C(=O)N[C@H]2CCOC2)C1 ZINC000159548451 388020555 /nfs/dbraw/zinc/02/05/55/388020555.db2.gz BWCBEAOOGCAEBC-VHSXEESVSA-N 1 0 227.308 0.121 10 70 BCIERO CC[C@@](C)(O)C[N@H+](C)CC(=O)N(C)C ZINC000160482283 388070361 /nfs/dbraw/zinc/07/03/61/388070361.db2.gz KXZBZILZLQCUAU-SNVBAGLBSA-N 1 0 202.298 0.167 10 70 BCIERO CC[C@](C)(O)C[N@H+](C)CC(=O)NCCCOC ZINC000160525130 388072449 /nfs/dbraw/zinc/07/24/49/388072449.db2.gz MMGSOYDVAUJLMI-LBPRGKRZSA-N 1 0 246.351 0.232 10 70 BCIERO C[C@H]1CN(C(=O)[C@H]2CC[NH2+]C2)[C@@H](C)CO1 ZINC000218253832 134252700 /nfs/dbraw/zinc/25/27/00/134252700.db2.gz FSEFLLAKFPOVLP-GUBZILKMSA-N 1 0 212.293 0.232 10 70 BCIERO CCOC(=O)[C@@H](N)CC[N@@H+]1CC[C@@H](C)C1 ZINC000218625910 170252119 /nfs/dbraw/zinc/25/21/19/170252119.db2.gz WFFLELUKGSLUQY-ZJUUUORDSA-N 1 0 214.309 0.609 10 70 BCIERO C[NH2+][C@H]1CCN(C(=O)[C@H](C)COC)C1 ZINC000160582615 173464237 /nfs/dbraw/zinc/46/42/37/173464237.db2.gz BZVBCBWASKJMSU-BDAKNGLRSA-N 1 0 200.282 0.089 10 70 BCIERO CCC[C@H](C(=O)NCCCC(=O)OC)[NH+](C)C ZINC000161298613 323493578 /nfs/dbraw/zinc/49/35/78/323493578.db2.gz RZSSBKUSUFXZLF-SNVBAGLBSA-N 1 0 244.335 0.786 10 70 BCIERO C[C@@H]1CN(C(=O)N[C@@H]2CCOC2)C[C@@H]1[NH+](C)C ZINC000159455807 345435185 /nfs/dbraw/zinc/43/51/85/345435185.db2.gz PNEJNORVSUMQHZ-MXWKQRLJSA-N 1 0 241.335 0.367 10 70 BCIERO CCC[C@@H](C(=O)N1CC[C@H](O)C1)[NH+](C)C ZINC000159566011 345442428 /nfs/dbraw/zinc/44/24/28/345442428.db2.gz GUKBBJTZGSZGFC-UWVGGRQHSA-N 1 0 214.309 0.310 10 70 BCIERO CN1CCO[C@H](CNC(=O)NC2(C)CCC2)C1 ZINC000160830552 349330134 /nfs/dbraw/zinc/33/01/34/349330134.db2.gz WDTSQEHQJSGJLM-SNVBAGLBSA-N 1 0 241.335 0.559 10 70 BCIERO CCN(CC[NH2+]CC(C)(C)O)C1CC1 ZINC000218372061 357923981 /nfs/dbraw/zinc/92/39/81/357923981.db2.gz NFPIAOINHLDXEF-UHFFFAOYSA-N 1 0 200.326 0.831 10 70 BCIERO CCC[C@@H]([NH3+])C(=O)N[C@H]1CCC[C@@H](O)C1 ZINC000217720272 169391464 /nfs/dbraw/zinc/39/14/64/169391464.db2.gz JWKFYPYHMMHFJY-IVZWLZJFSA-N 1 0 214.309 0.534 10 70 BCIERO CC[C@H](CO)N1CC[NH+](C[C@@](C)(O)CC)CC1 ZINC000161303215 384479268 /nfs/dbraw/zinc/47/92/68/384479268.db2.gz MRFBBBVICKURLR-OLZOCXBDSA-N 1 0 244.379 0.536 10 70 BCIERO CCC[C@@H](C(=O)NCCCC(=O)OC)[NH+](C)C ZINC000161298528 387185673 /nfs/dbraw/zinc/18/56/73/387185673.db2.gz RZSSBKUSUFXZLF-JTQLQIEISA-N 1 0 244.335 0.786 10 70 BCIERO Cc1c(C[NH2+]C(C)(C)[C@H](C)O)cnn1C ZINC000160603840 388078962 /nfs/dbraw/zinc/07/89/62/388078962.db2.gz LRYYUXUTOJBEFK-VIFPVBQESA-N 1 0 211.309 0.978 10 70 BCIERO CC[N@H+](CCNC1CC[NH2+]CC1)C1CC1 ZINC000217502604 134248792 /nfs/dbraw/zinc/24/87/92/134248792.db2.gz ITTPPEPBLSIVOM-UHFFFAOYSA-N 1 0 211.353 0.812 10 70 BCIERO CCC[C@H](O)CNC(=O)C[C@@H]([NH3+])C(C)C ZINC000217967658 411578956 /nfs/dbraw/zinc/57/89/56/411578956.db2.gz URHUADHCGZMQTH-VHSXEESVSA-N 1 0 216.325 0.637 10 70 BCIERO COc1ccc(NC(=O)[C@@H]2CC[NH2+]C2)cc1N ZINC000161381448 323503047 /nfs/dbraw/zinc/50/30/47/323503047.db2.gz FGHUARTXGGSKEV-MRVPVSSYSA-N 1 0 235.287 0.825 10 70 BCIERO [NH3+][C@H]1CCC[C@@H](NC(=O)[C@@H]2CCCO2)C1 ZINC000161199182 487484202 /nfs/dbraw/zinc/48/42/02/487484202.db2.gz WXDAUXCJFYUEDW-AEJSXWLSSA-N 1 0 212.293 0.552 10 70 BCIERO CC[N@H+](CCNC(=O)n1ccnc1)C1CC1 ZINC000218604162 592167712 /nfs/dbraw/zinc/16/77/12/592167712.db2.gz JOPWACFVVKZKHY-UHFFFAOYSA-N 1 0 222.292 0.925 10 70 BCIERO CCC([NH3+])(CC)CNC(=O)[C@H](C)COC ZINC000160461710 168417883 /nfs/dbraw/zinc/41/78/83/168417883.db2.gz VYTUYFYHIMJQTC-SECBINFHSA-N 1 0 216.325 0.903 10 70 BCIERO CC[C@](C)(O)C[N@@H+]1CC[C@H](CCO)C1 ZINC000159742824 345512090 /nfs/dbraw/zinc/51/20/90/345512090.db2.gz WGZPKGOPEJKUIW-MNOVXSKESA-N 1 0 201.310 0.852 10 70 BCIERO CCN(CC)C(=O)C[N@H+](C)C[C@@](C)(O)CC ZINC000160345010 384403183 /nfs/dbraw/zinc/40/31/83/384403183.db2.gz COMVIQKDXFQBCF-LBPRGKRZSA-N 1 0 230.352 0.948 10 70 BCIERO CC[C@@H](CO)N1CC[NH+](C[C@@](C)(O)CC)CC1 ZINC000161303084 384964479 /nfs/dbraw/zinc/96/44/79/384964479.db2.gz MRFBBBVICKURLR-STQMWFEESA-N 1 0 244.379 0.536 10 70 BCIERO CC[C@@](C)(O)C[N@H+](C)CC(=O)NCCCOC ZINC000160525242 388073759 /nfs/dbraw/zinc/07/37/59/388073759.db2.gz MMGSOYDVAUJLMI-GFCCVEGCSA-N 1 0 246.351 0.232 10 70 BCIERO Cc1c(C[NH2+]C(C)(C)[C@@H](C)O)cnn1C ZINC000160603670 388078377 /nfs/dbraw/zinc/07/83/77/388078377.db2.gz LRYYUXUTOJBEFK-SECBINFHSA-N 1 0 211.309 0.978 10 70 BCIERO O=C(N[C@@H]1CCOC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000159454678 397947525 /nfs/dbraw/zinc/94/75/25/397947525.db2.gz MGLQNGIIQRBSGV-GHMZBOCLSA-N 1 0 239.319 0.265 10 70 BCIERO CCOC(=O)NCCC(=O)N1CCC[C@H]1C[NH3+] ZINC000160318156 323075364 /nfs/dbraw/zinc/07/53/64/323075364.db2.gz JBYCRCSBZBASRX-VIFPVBQESA-N 1 0 243.307 0.072 10 70 BCIERO CCC[C@H](C(=O)NCCCOC)[NH+](C)C ZINC000161163378 323149659 /nfs/dbraw/zinc/14/96/59/323149659.db2.gz ICIAYPAPTJYNQN-SNVBAGLBSA-N 1 0 216.325 0.869 10 70 BCIERO CCC[C@H](C(=O)N1CC[C@H](O)C1)[NH+](C)C ZINC000159566156 345442848 /nfs/dbraw/zinc/44/28/48/345442848.db2.gz GUKBBJTZGSZGFC-VHSXEESVSA-N 1 0 214.309 0.310 10 70 BCIERO C[C@H](O)C[C@@H]1CCC[N@@H+]1CC(C)(C)O ZINC000159374995 361232487 /nfs/dbraw/zinc/23/24/87/361232487.db2.gz XTCZYJAOFMNGAS-UWVGGRQHSA-N 1 0 201.310 0.993 10 70 BCIERO C[C@@H]1C[C@@H]1CNC(=O)C1([NH3+])CCOCC1 ZINC000159665795 361279780 /nfs/dbraw/zinc/27/97/80/361279780.db2.gz JEUWEDZNOOIZJO-RKDXNWHRSA-N 1 0 212.293 0.267 10 70 BCIERO C[C@H](C(N)=S)[N@@H+]1CCCO[C@@H](C)C1 ZINC000217576267 371981393 /nfs/dbraw/zinc/98/13/93/371981393.db2.gz SPVKLGLERKJHLS-JGVFFNPUSA-N 1 0 202.323 0.772 10 70 BCIERO CC[C@@](C)(O)C[N@@H+]1CCC[C@H](CC(N)=O)C1 ZINC000161372627 384989095 /nfs/dbraw/zinc/98/90/95/384989095.db2.gz NTQRDELDASHLSI-ZYHUDNBSSA-N 1 0 228.336 0.735 10 70 BCIERO COc1ccc(NC(=O)[C@H]2CC[NH2+]C2)cc1N ZINC000161381576 387199582 /nfs/dbraw/zinc/19/95/82/387199582.db2.gz FGHUARTXGGSKEV-QMMMGPOBSA-N 1 0 235.287 0.825 10 70 BCIERO CC(C)S(=O)(=O)CCN1CCC[C@H]([NH3+])C1 ZINC000216878011 167316684 /nfs/dbraw/zinc/31/66/84/167316684.db2.gz WRVIKGFNZYJBDB-JTQLQIEISA-N 1 0 234.365 0.233 10 70 BCIERO CN(C(=O)c1cncc(F)c1)C1C[NH2+]C1 ZINC000160146459 172346437 /nfs/dbraw/zinc/34/64/37/172346437.db2.gz VIHDWDRZDKAWFU-UHFFFAOYSA-N 1 0 209.224 0.265 10 70 BCIERO CCC[C@H](C(=O)N1CCOCC1)[NH+](C)C ZINC000161152441 323149289 /nfs/dbraw/zinc/14/92/89/323149289.db2.gz GWFMFMLXTCAZSZ-SNVBAGLBSA-N 1 0 214.309 0.576 10 70 BCIERO CN(C)C(=O)CCCC(=O)N1CCC[C@H]1C[NH3+] ZINC000160179005 187358846 /nfs/dbraw/zinc/35/88/46/187358846.db2.gz RROSGTQRGJZBTG-JTQLQIEISA-N 1 0 241.335 0.195 10 70 BCIERO COC(C[N@@H+]1CCC[C@@H](n2cncn2)C1)OC ZINC000160981736 349349552 /nfs/dbraw/zinc/34/95/52/349349552.db2.gz XCQISFDDZRSERR-SNVBAGLBSA-N 1 0 240.307 0.534 10 70 BCIERO CSCCNC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000159557632 350893067 /nfs/dbraw/zinc/89/30/67/350893067.db2.gz ZIOWYFFEKLVXKB-JTQLQIEISA-N 1 0 216.350 0.998 10 70 BCIERO Cc1nn(C)cc1CNC1=[NH+]CCS1 ZINC000160258071 355761515 /nfs/dbraw/zinc/76/15/15/355761515.db2.gz PADNICGIGJEOHB-UHFFFAOYSA-N 1 0 210.306 0.921 10 70 BCIERO Cc1c(C[NH2+]C[C@H](O)C(C)C)cnn1C ZINC000160147546 384641069 /nfs/dbraw/zinc/64/10/69/384641069.db2.gz MNEOCFCLZOJQCO-NSHDSACASA-N 1 0 211.309 0.835 10 70 BCIERO CC[C@H](CO)N1CC[NH+](C[C@](C)(O)CC)CC1 ZINC000161302960 384964814 /nfs/dbraw/zinc/96/48/14/384964814.db2.gz MRFBBBVICKURLR-CHWSQXEVSA-N 1 0 244.379 0.536 10 70 BCIERO CC[C@H](O)CN1CC[NH+](C[C@@](C)(O)CC)CC1 ZINC000161296090 384962666 /nfs/dbraw/zinc/96/26/66/384962666.db2.gz PZHKDKFWNKTMIA-STQMWFEESA-N 1 0 244.379 0.536 10 70 BCIERO CCN(CC)C(=O)C[N@H+](C)C[C@](C)(O)CC ZINC000160345129 388059798 /nfs/dbraw/zinc/05/97/98/388059798.db2.gz COMVIQKDXFQBCF-GFCCVEGCSA-N 1 0 230.352 0.948 10 70 BCIERO CC[C@@](C)(O)C[NH+]1CCC(C(=O)N(C)C)CC1 ZINC000160373926 388060295 /nfs/dbraw/zinc/06/02/95/388060295.db2.gz CHFNRZLJKJNAAT-CYBMUJFWSA-N 1 0 242.363 0.948 10 70 BCIERO CC(C)CCO[C@@H]1CCN(C(=O)C[NH3+])C1 ZINC000160812273 388091883 /nfs/dbraw/zinc/09/18/83/388091883.db2.gz SNHIGGFCGDZHEL-SNVBAGLBSA-N 1 0 214.309 0.609 10 70 BCIERO COC(=O)[C@@H](C)C[N@@H+]1CC[C@H](CCO)C1 ZINC000159708553 134787085 /nfs/dbraw/zinc/78/70/85/134787085.db2.gz QJGKUOLKCMZHCQ-VHSXEESVSA-N 1 0 215.293 0.500 10 70 BCIERO C[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C)COC ZINC000161233734 173380022 /nfs/dbraw/zinc/38/00/22/173380022.db2.gz HXWVFLSFYDNXIY-VHSXEESVSA-N 1 0 214.309 0.479 10 70 BCIERO C[C@@H]1COC[C@H](C)N1C(=O)C[C@@H]1CCC[NH2+]1 ZINC000160521206 177298623 /nfs/dbraw/zinc/29/86/23/177298623.db2.gz FXEGBVUFNDBGBV-AXFHLTTASA-N 1 0 226.320 0.764 10 70 BCIERO COC[C@H](C)NC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000159554977 488057913 /nfs/dbraw/zinc/05/79/13/488057913.db2.gz DMAGUKDXWPDNTE-ONGXEEELSA-N 1 0 214.309 0.670 10 70 BCIERO COC(OC)[SiH2]CCC[N+](C)(C)C ZINC000207127005 717160730 /nfs/dbraw/zinc/16/07/30/717160730.db2.gz LBRYVVQHGHOVCV-UHFFFAOYSA-N 1 0 206.382 0.246 10 70 BCIERO CO[C@H](C)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000160596529 357108226 /nfs/dbraw/zinc/10/82/26/357108226.db2.gz WZYFZMYHUGTQLI-BDAKNGLRSA-N 1 0 200.282 0.184 10 70 BCIERO C[C@H](O)C[C@H]1CCC[N@@H+]1CC(C)(C)O ZINC000159375241 361232476 /nfs/dbraw/zinc/23/24/76/361232476.db2.gz XTCZYJAOFMNGAS-VHSXEESVSA-N 1 0 201.310 0.993 10 70 BCIERO C[NH2+][C@H]1CCN(c2ncccc2OC)C1 ZINC000160296654 361304207 /nfs/dbraw/zinc/30/42/07/361304207.db2.gz ROGBCRUJCDFLMI-VIFPVBQESA-N 1 0 207.277 0.888 10 70 BCIERO C[NH2+][C@@H]1CCN(c2ncccc2OC)C1 ZINC000160296537 361304220 /nfs/dbraw/zinc/30/42/20/361304220.db2.gz ROGBCRUJCDFLMI-SECBINFHSA-N 1 0 207.277 0.888 10 70 BCIERO O=C(N[C@@H]1CCOC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000159454810 385988712 /nfs/dbraw/zinc/98/87/12/385988712.db2.gz MGLQNGIIQRBSGV-MNOVXSKESA-N 1 0 239.319 0.265 10 70 BCIERO Cn1nnnc1NC[C@@]1(C)CCC[NH2+]C1 ZINC000160008973 386030452 /nfs/dbraw/zinc/03/04/52/386030452.db2.gz UTRZPIQVPKTSAS-VIFPVBQESA-N 1 0 210.285 0.012 10 70 BCIERO CCC[C@H](C(=O)NCCC(=O)OC)[NH+](C)C ZINC000161441449 387211463 /nfs/dbraw/zinc/21/14/63/387211463.db2.gz MWGQHULRVKCARF-SECBINFHSA-N 1 0 230.308 0.396 10 70 BCIERO CCCCOCC(=O)N1CCC[C@H]1C[NH3+] ZINC000160196591 388053724 /nfs/dbraw/zinc/05/37/24/388053724.db2.gz BMZHVLYDSPYVDI-JTQLQIEISA-N 1 0 214.309 0.753 10 70 BCIERO [NH3+]C[C@H]1CCCN1C(=O)COCC1CC1 ZINC000160381698 388060672 /nfs/dbraw/zinc/06/06/72/388060672.db2.gz LZWYMSMRLHEBGH-SNVBAGLBSA-N 1 0 212.293 0.363 10 70 BCIERO CC(C)S(=O)(=O)CCN1CC[C@@H](C[NH3+])C1 ZINC000216877722 167318297 /nfs/dbraw/zinc/31/82/97/167318297.db2.gz WSLSSTDYMRPUOP-JTQLQIEISA-N 1 0 234.365 0.090 10 70 BCIERO COC[C@H](C)NC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000159555216 488058052 /nfs/dbraw/zinc/05/80/52/488058052.db2.gz DMAGUKDXWPDNTE-GXSJLCMTSA-N 1 0 214.309 0.670 10 70 BCIERO CCC[C@@H](O)CNC(=O)C[C@@H]([NH3+])C(C)C ZINC000217967573 487494913 /nfs/dbraw/zinc/49/49/13/487494913.db2.gz URHUADHCGZMQTH-NXEZZACHSA-N 1 0 216.325 0.637 10 70 BCIERO CC(C)S(=O)(=O)CCN1CCC[C@H]1C[NH3+] ZINC000216877833 535094724 /nfs/dbraw/zinc/09/47/24/535094724.db2.gz OEUKTAIHJZHCOA-JTQLQIEISA-N 1 0 234.365 0.233 10 70 BCIERO O=S(=O)(/C=C\c1ccccc1)NC1C[NH2+]C1 ZINC000218257715 592153132 /nfs/dbraw/zinc/15/31/32/592153132.db2.gz BTXAMRQUGYRKHF-SREVYHEPSA-N 1 0 238.312 0.549 10 70 BCIERO CCCCOCC(=O)N1CCC[C@@H]1C[NH3+] ZINC000160196452 168889181 /nfs/dbraw/zinc/88/91/81/168889181.db2.gz BMZHVLYDSPYVDI-SNVBAGLBSA-N 1 0 214.309 0.753 10 70 BCIERO COCc1ccc(C(=O)N2CCC[C@H]2C[NH3+])o1 ZINC000160164972 387063920 /nfs/dbraw/zinc/06/39/20/387063920.db2.gz XQXSLQZHOCKOAG-VIFPVBQESA-N 1 0 238.287 0.989 10 70 BCIERO CCC[C@H](C(=O)N(C)CC(=O)N(C)C)[NH+](C)C ZINC000161291411 387180507 /nfs/dbraw/zinc/18/05/07/387180507.db2.gz LVEHKEYRISTTJI-SNVBAGLBSA-N 1 0 243.351 0.263 10 70 BCIERO CCC[C@@H](C(=O)N(C)CC(=O)N(C)C)[NH+](C)C ZINC000161291292 387181055 /nfs/dbraw/zinc/18/10/55/387181055.db2.gz LVEHKEYRISTTJI-JTQLQIEISA-N 1 0 243.351 0.263 10 70 BCIERO CCC[C@H](C(=O)NCC(=O)OC)[NH+](C)C ZINC000161437280 387211413 /nfs/dbraw/zinc/21/14/13/387211413.db2.gz XQIKKEHIOTYPJC-MRVPVSSYSA-N 1 0 216.281 0.006 10 70 BCIERO C[NH2+][C@@H]1CCN(CCS(=O)(=O)C(C)C)C1 ZINC000216877944 262713207 /nfs/dbraw/zinc/71/32/07/262713207.db2.gz VPAJSUGJYFEKQU-SNVBAGLBSA-N 1 0 234.365 0.103 10 70 BCIERO CC(C)S(=O)(=O)CCN1CCC[C@@H]([NH3+])C1 ZINC000216878052 535092778 /nfs/dbraw/zinc/09/27/78/535092778.db2.gz WRVIKGFNZYJBDB-SNVBAGLBSA-N 1 0 234.365 0.233 10 70 BCIERO C[C@H](CNC(=O)n1ccnc1)[N@H+](C)C1CC1 ZINC000218605327 592167959 /nfs/dbraw/zinc/16/79/59/592167959.db2.gz ZUVWEJSRIGUHHJ-SECBINFHSA-N 1 0 222.292 0.924 10 70 BCIERO C[C@@H]1CN(C(=O)N[C@@H]2CCOC2)C[C@H]1[NH+](C)C ZINC000159456091 345434892 /nfs/dbraw/zinc/43/48/92/345434892.db2.gz PNEJNORVSUMQHZ-GMTAPVOTSA-N 1 0 241.335 0.367 10 70 BCIERO CO[C@@H](C)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000160596439 357107284 /nfs/dbraw/zinc/10/72/84/357107284.db2.gz WZYFZMYHUGTQLI-IUCAKERBSA-N 1 0 200.282 0.184 10 70 BCIERO CO[C@H](C)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000160596735 357108282 /nfs/dbraw/zinc/10/82/82/357108282.db2.gz WZYFZMYHUGTQLI-RKDXNWHRSA-N 1 0 200.282 0.184 10 70 BCIERO COC(=O)[C@@H](C)C[N@@H+]1CCO[C@@H](C)C1 ZINC000217739933 134250459 /nfs/dbraw/zinc/25/04/59/134250459.db2.gz HXNFMLBXCPTZBW-IUCAKERBSA-N 1 0 201.266 0.516 10 70 BCIERO CSC[C@@H](C)NC(=O)C1([NH3+])CCOCC1 ZINC000159672486 361280989 /nfs/dbraw/zinc/28/09/89/361280989.db2.gz ABGSXSNPKBPCDH-MRVPVSSYSA-N 1 0 232.349 0.362 10 70 BCIERO CCC[C@H](O)C[NH2+]Cc1cnn(C)c1C ZINC000160146099 169518345 /nfs/dbraw/zinc/51/83/45/169518345.db2.gz XQVZMBOLJMNSGK-NSHDSACASA-N 1 0 211.309 0.979 10 70 BCIERO COC[C@H](C)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000161051699 384454105 /nfs/dbraw/zinc/45/41/05/384454105.db2.gz ZTTKNZBZTMTHDC-GUBZILKMSA-N 1 0 214.309 0.655 10 70 BCIERO CCNC(=O)C[N@H+](CC)C[C@@](C)(O)CC ZINC000160425941 386576002 /nfs/dbraw/zinc/57/60/02/386576002.db2.gz DVDCNWIKMPKPES-NSHDSACASA-N 1 0 216.325 0.605 10 70 BCIERO C[NH+](C)[C@H]1CCN(C(=O)N[C@H]2CCOC2)C1 ZINC000159548599 388020465 /nfs/dbraw/zinc/02/04/65/388020465.db2.gz BWCBEAOOGCAEBC-UWVGGRQHSA-N 1 0 227.308 0.121 10 70 BCIERO C[NH+](C)[C@@H]1CCN(C(=O)N[C@@H]2CCOC2)C1 ZINC000159548172 388020485 /nfs/dbraw/zinc/02/04/85/388020485.db2.gz BWCBEAOOGCAEBC-NXEZZACHSA-N 1 0 227.308 0.121 10 70 BCIERO C[C@@H]1CN(C(=O)[C@H]2CC[NH2+]C2)[C@@H](C)CO1 ZINC000218253777 134252761 /nfs/dbraw/zinc/25/27/61/134252761.db2.gz FSEFLLAKFPOVLP-AEJSXWLSSA-N 1 0 212.293 0.232 10 70 BCIERO C[NH2+][C@H]1CCN(C(=O)[C@@H](C)COC)C1 ZINC000160582492 173463706 /nfs/dbraw/zinc/46/37/06/173463706.db2.gz BZVBCBWASKJMSU-IUCAKERBSA-N 1 0 200.282 0.089 10 70 BCIERO COC(C[N@@H+]1CC[C@@H](c2cnn(C)c2)C1)OC ZINC000161142346 173959927 /nfs/dbraw/zinc/95/99/27/173959927.db2.gz SKQMRVQONSAWSI-SNVBAGLBSA-N 1 0 239.319 0.828 10 70 BCIERO CCC[C@@H](C(=O)N1CCOCC1)[NH+](C)C ZINC000161152320 323149286 /nfs/dbraw/zinc/14/92/86/323149286.db2.gz GWFMFMLXTCAZSZ-JTQLQIEISA-N 1 0 214.309 0.576 10 70 BCIERO CN1CCO[C@@H](CNC(=O)NC2(C)CCC2)C1 ZINC000160830678 349330277 /nfs/dbraw/zinc/33/02/77/349330277.db2.gz WDTSQEHQJSGJLM-JTQLQIEISA-N 1 0 241.335 0.559 10 70 BCIERO COC(C[N@@H+]1CCC[C@H](n2cncn2)C1)OC ZINC000160981606 349349630 /nfs/dbraw/zinc/34/96/30/349349630.db2.gz XCQISFDDZRSERR-JTQLQIEISA-N 1 0 240.307 0.534 10 70 BCIERO C[C@H](C[NH2+]CC(C)(C)O)N(C)C1CC1 ZINC000218652929 357962939 /nfs/dbraw/zinc/96/29/39/357962939.db2.gz RHHPZSZTLBAJSH-SECBINFHSA-N 1 0 200.326 0.830 10 70 BCIERO C[C@H]1C[C@@H]1CNC(=O)C1([NH3+])CCOCC1 ZINC000159665904 384347035 /nfs/dbraw/zinc/34/70/35/384347035.db2.gz JEUWEDZNOOIZJO-DTWKUNHWSA-N 1 0 212.293 0.267 10 70 BCIERO CO[C@H](C)C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000160939378 384860681 /nfs/dbraw/zinc/86/06/81/384860681.db2.gz RXUFVWDXDVSCTF-HLTSFMKQSA-N 1 0 200.282 0.265 10 70 BCIERO CC[C@@H](CO)N1CC[NH+](C[C@](C)(O)CC)CC1 ZINC000161302826 384965124 /nfs/dbraw/zinc/96/51/24/384965124.db2.gz MRFBBBVICKURLR-QWHCGFSZSA-N 1 0 244.379 0.536 10 70 BCIERO CC(C)CCO[C@H]1CCN(C(=O)[C@H](C)[NH3+])C1 ZINC000160812000 386184143 /nfs/dbraw/zinc/18/41/43/386184143.db2.gz HTQGVDVDNZMOJB-QWRGUYRKSA-N 1 0 228.336 0.997 10 70 BCIERO CC[C@@](C)(O)C[N@H+](C)CCn1cccn1 ZINC000161060052 171178639 /nfs/dbraw/zinc/17/86/39/171178639.db2.gz UCZXMEZAZHLNJY-LLVKDONJSA-N 1 0 211.309 0.976 10 70 BCIERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2cn[nH]c2)C1 ZINC000161097388 167026904 /nfs/dbraw/zinc/02/69/04/167026904.db2.gz HFGSDFSLRMUJFQ-KOLCDFICSA-N 1 0 236.319 0.868 10 70 BCIERO CC(C)[N@H+]1C[C@H](NC(=O)c2cn[nH]c2)[C@@H](C)C1 ZINC000161097509 167033455 /nfs/dbraw/zinc/03/34/55/167033455.db2.gz HFGSDFSLRMUJFQ-ONGXEEELSA-N 1 0 236.319 0.868 10 70 BCIERO CCC[C@H](O)CNC(=O)C[C@H]([NH3+])C(C)C ZINC000217967818 411580558 /nfs/dbraw/zinc/58/05/58/411580558.db2.gz URHUADHCGZMQTH-UWVGGRQHSA-N 1 0 216.325 0.637 10 70 BCIERO CC[C@](C)(O)C[N@H+](C)C[C@H](O)C1CC1 ZINC000161466147 538915804 /nfs/dbraw/zinc/91/58/04/538915804.db2.gz CCUKVHNEYUPYLN-QWRGUYRKSA-N 1 0 201.310 0.850 10 70 BCIERO CCC([NH3+])(CC)CNC(=O)[C@@H](C)COC ZINC000160461573 168416291 /nfs/dbraw/zinc/41/62/91/168416291.db2.gz VYTUYFYHIMJQTC-VIFPVBQESA-N 1 0 216.325 0.903 10 70 BCIERO CC[C@@](C)(O)C[N@H+](C)C[C@H](O)C1CC1 ZINC000161466267 538111637 /nfs/dbraw/zinc/11/16/37/538111637.db2.gz CCUKVHNEYUPYLN-WDEREUQCSA-N 1 0 201.310 0.850 10 70 BCIERO CCC[C@H](C(=O)N[C@H]1CCC[C@@H]1O)[NH+](C)C ZINC000159920178 353305807 /nfs/dbraw/zinc/30/58/07/353305807.db2.gz DJWCSWSCVYORPB-AXFHLTTASA-N 1 0 228.336 0.746 10 70 BCIERO CC1CC(NC(=O)C2([NH3+])CCOCC2)C1 ZINC000159670305 361279759 /nfs/dbraw/zinc/27/97/59/361279759.db2.gz FGLWEXLYTBGZBS-UHFFFAOYSA-N 1 0 212.293 0.409 10 70 BCIERO COC(C[N@@H+]1CC[C@H](c2cnn(C)c2)C1)OC ZINC000161142459 384467785 /nfs/dbraw/zinc/46/77/85/384467785.db2.gz SKQMRVQONSAWSI-JTQLQIEISA-N 1 0 239.319 0.828 10 70 BCIERO CO[C@H](C)C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000160939113 384862894 /nfs/dbraw/zinc/86/28/94/384862894.db2.gz RXUFVWDXDVSCTF-IWSPIJDZSA-N 1 0 200.282 0.265 10 70 BCIERO CSC[C@H](C)NC(=O)C1([NH3+])CCOCC1 ZINC000159672383 388026016 /nfs/dbraw/zinc/02/60/16/388026016.db2.gz ABGSXSNPKBPCDH-QMMMGPOBSA-N 1 0 232.349 0.362 10 70 BCIERO CSCCNC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000159557476 350892845 /nfs/dbraw/zinc/89/28/45/350892845.db2.gz ZIOWYFFEKLVXKB-SNVBAGLBSA-N 1 0 216.350 0.998 10 70 BCIERO CN(C)C(=O)CCCC(=O)N1CCC[C@@H]1C[NH3+] ZINC000160178862 188579418 /nfs/dbraw/zinc/57/94/18/188579418.db2.gz RROSGTQRGJZBTG-SNVBAGLBSA-N 1 0 241.335 0.195 10 70 BCIERO CC[C@H](CCO)NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000217931160 134251174 /nfs/dbraw/zinc/25/11/74/134251174.db2.gz JRVYGEPMAJQCKV-NXEZZACHSA-N 1 0 214.309 0.263 10 70 BCIERO C[C@@H](O)C[C@@H]1CCC[N@@H+]1CC(C)(C)O ZINC000159375118 361232884 /nfs/dbraw/zinc/23/28/84/361232884.db2.gz XTCZYJAOFMNGAS-ZJUUUORDSA-N 1 0 201.310 0.993 10 70 BCIERO C[C@@H]1C[C@H]1CNC(=O)C1([NH3+])CCOCC1 ZINC000159666036 361279423 /nfs/dbraw/zinc/27/94/23/361279423.db2.gz JEUWEDZNOOIZJO-BDAKNGLRSA-N 1 0 212.293 0.267 10 70 BCIERO CN(C(=O)C1([NH3+])CCOCC1)C1CCC1 ZINC000159669717 361279827 /nfs/dbraw/zinc/27/98/27/361279827.db2.gz BWTBBNXCOXAWLJ-UHFFFAOYSA-N 1 0 212.293 0.505 10 70 BCIERO [NH3+]C[C@@H]1CCCN1C(=O)CC[C@H]1CCOC1 ZINC000160294515 388056173 /nfs/dbraw/zinc/05/61/73/388056173.db2.gz ASLYLLDQPBYXPN-QWRGUYRKSA-N 1 0 226.320 0.753 10 70 BCIERO CC[C@](C)(O)C[NH+]1CCC(C(=O)N(C)C)CC1 ZINC000160373797 388059611 /nfs/dbraw/zinc/05/96/11/388059611.db2.gz CHFNRZLJKJNAAT-ZDUSSCGKSA-N 1 0 242.363 0.948 10 70 BCIERO CC[C@](C)(O)C[N@H+](C)CC(=O)N(C)C ZINC000160482151 388070564 /nfs/dbraw/zinc/07/05/64/388070564.db2.gz KXZBZILZLQCUAU-JTQLQIEISA-N 1 0 202.298 0.167 10 70 BCIERO CC(C)S(=O)(=O)CCN(C)[C@H]1CC[NH2+]C1 ZINC000216877441 167318029 /nfs/dbraw/zinc/31/80/29/167318029.db2.gz RXCSIGIVTRASRW-JTQLQIEISA-N 1 0 234.365 0.103 10 70 BCIERO CCC[C@@H](O)CNC(=O)C[C@H]([NH3+])C(C)C ZINC000217967737 411579850 /nfs/dbraw/zinc/57/98/50/411579850.db2.gz URHUADHCGZMQTH-ZJUUUORDSA-N 1 0 216.325 0.637 10 70 BCIERO C[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C)COC ZINC000161234098 173368726 /nfs/dbraw/zinc/36/87/26/173368726.db2.gz HXWVFLSFYDNXIY-ZJUUUORDSA-N 1 0 214.309 0.479 10 70 BCIERO C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](C)COC ZINC000161233982 173368817 /nfs/dbraw/zinc/36/88/17/173368817.db2.gz HXWVFLSFYDNXIY-UWVGGRQHSA-N 1 0 214.309 0.479 10 70 BCIERO C[NH2+]C[C@H]1CCCN1C(=O)[C@H](C)COC ZINC000161233858 173379902 /nfs/dbraw/zinc/37/99/02/173379902.db2.gz HXWVFLSFYDNXIY-NXEZZACHSA-N 1 0 214.309 0.479 10 70 BCIERO CO[C@H](C)C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000160922340 174804526 /nfs/dbraw/zinc/80/45/26/174804526.db2.gz ZLUCFOIHVKXZED-HNJRMYHASA-N 1 0 212.293 0.421 10 70 BCIERO CCC[C@@H](C(=O)NCC(=O)OC)[NH+](C)C ZINC000161437144 323075973 /nfs/dbraw/zinc/07/59/73/323075973.db2.gz XQIKKEHIOTYPJC-QMMMGPOBSA-N 1 0 216.281 0.006 10 70 BCIERO CCC[C@H](C(=O)NCCOC)[NH+](C)C ZINC000161132849 323148816 /nfs/dbraw/zinc/14/88/16/323148816.db2.gz XNOCWJODARJPQM-SECBINFHSA-N 1 0 202.298 0.479 10 70 BCIERO Cc1c(C[NH2+][C@H](C)CC(N)=O)cnn1C ZINC000160797610 361328912 /nfs/dbraw/zinc/32/89/12/361328912.db2.gz HRSPTCMFNMOOQM-SSDOTTSWSA-N 1 0 210.281 0.082 10 70 BCIERO Cc1c(C[NH2+][C@@H](C)CC(N)=O)cnn1C ZINC000160797503 361328578 /nfs/dbraw/zinc/32/85/78/361328578.db2.gz HRSPTCMFNMOOQM-ZETCQYMHSA-N 1 0 210.281 0.082 10 70 BCIERO CCC[C@@H]([NH3+])C(=O)N[C@@H]1CCC[C@@H](O)C1 ZINC000217720099 169391082 /nfs/dbraw/zinc/39/10/82/169391082.db2.gz JWKFYPYHMMHFJY-OPRDCNLKSA-N 1 0 214.309 0.534 10 70 BCIERO COC[C@H](C)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000161051493 384452602 /nfs/dbraw/zinc/45/26/02/384452602.db2.gz ZTTKNZBZTMTHDC-LPEHRKFASA-N 1 0 214.309 0.655 10 70 BCIERO CCc1cc(NC(=O)[C@H]2CCC[NH2+]C2)n(C)n1 ZINC000160826328 384439634 /nfs/dbraw/zinc/43/96/34/384439634.db2.gz BHWXYXUGKOEWNL-VIFPVBQESA-N 1 0 236.319 0.921 10 70 BCIERO CCNC(=O)C[N@H+](CC)C[C@](C)(O)CC ZINC000160426079 386575599 /nfs/dbraw/zinc/57/55/99/386575599.db2.gz DVDCNWIKMPKPES-LLVKDONJSA-N 1 0 216.325 0.605 10 70 BCIERO CCC[C@@H](C(=O)NCCC(=O)OC)[NH+](C)C ZINC000161441305 387212634 /nfs/dbraw/zinc/21/26/34/387212634.db2.gz MWGQHULRVKCARF-VIFPVBQESA-N 1 0 230.308 0.396 10 70 BCIERO [NH3+]C[C@@H]1CCCN1C(=O)COCC1CC1 ZINC000160381823 388061494 /nfs/dbraw/zinc/06/14/94/388061494.db2.gz LZWYMSMRLHEBGH-JTQLQIEISA-N 1 0 212.293 0.363 10 70 BCIERO Cc1c(C[NH2+]C(C)(C)CCO)cnn1C ZINC000160158787 388050047 /nfs/dbraw/zinc/05/00/47/388050047.db2.gz GYOLPEAAOWOKMA-UHFFFAOYSA-N 1 0 211.309 0.979 10 70 BCIERO CCC[C@H]([NH3+])C(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000217824999 134250679 /nfs/dbraw/zinc/25/06/79/134250679.db2.gz IBOJBRYZJLGYLR-GUBZILKMSA-N 1 0 214.309 0.750 10 70 BCIERO CC[C@@H](CCO)NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000217931078 134250847 /nfs/dbraw/zinc/25/08/47/134250847.db2.gz JRVYGEPMAJQCKV-ZJUUUORDSA-N 1 0 214.309 0.263 10 70 BCIERO Cc1nc(C)c(C(=O)N(C)C2C[NH2+]C2)o1 ZINC000159587659 136214413 /nfs/dbraw/zinc/21/44/13/136214413.db2.gz WDZHSCRKXQTFNW-UHFFFAOYSA-N 1 0 209.249 0.335 10 70 BCIERO CC(C)S(=O)(=O)CCN1CCC[C@@H]1C[NH3+] ZINC000216877789 535093851 /nfs/dbraw/zinc/09/38/51/535093851.db2.gz OEUKTAIHJZHCOA-SNVBAGLBSA-N 1 0 234.365 0.233 10 70 BCIERO Nc1ccccc1C(=O)N1CCC[C@H]([NH3+])C1 ZINC000161262284 349411699 /nfs/dbraw/zinc/41/16/99/349411699.db2.gz BBSJCECYDLVCOD-VIFPVBQESA-N 1 0 219.288 0.832 10 70 BCIERO C[C@@H](C[NH2+]CC(C)(C)O)N(C)C1CC1 ZINC000218652858 357962575 /nfs/dbraw/zinc/96/25/75/357962575.db2.gz RHHPZSZTLBAJSH-VIFPVBQESA-N 1 0 200.326 0.830 10 70 BCIERO CCC[NH2+]CCNCc1cnn(C)c1C ZINC000161334405 169258982 /nfs/dbraw/zinc/25/89/82/169258982.db2.gz IRJVTENZYOCOOW-UHFFFAOYSA-N 1 0 210.325 0.818 10 70 BCIERO CC[C@H](O)CN1CC[NH+](C[C@](C)(O)CC)CC1 ZINC000161295902 384962244 /nfs/dbraw/zinc/96/22/44/384962244.db2.gz PZHKDKFWNKTMIA-QWHCGFSZSA-N 1 0 244.379 0.536 10 70 BCIERO CC1(C)CC[C@H](Cn2cc(C[NH3+])nn2)O1 ZINC000159603342 385988605 /nfs/dbraw/zinc/98/86/05/385988605.db2.gz UPPQXUOQOPMDIA-SECBINFHSA-N 1 0 210.281 0.694 10 70 BCIERO Cn1nnnc1NC[C@]1(C)CCC[NH2+]C1 ZINC000160009093 386030428 /nfs/dbraw/zinc/03/04/28/386030428.db2.gz UTRZPIQVPKTSAS-SECBINFHSA-N 1 0 210.285 0.012 10 70 BCIERO Cc1c(C[NH2+]C[C@@H](O)C(C)C)cnn1C ZINC000160147655 388047265 /nfs/dbraw/zinc/04/72/65/388047265.db2.gz MNEOCFCLZOJQCO-LLVKDONJSA-N 1 0 211.309 0.835 10 70 BCIERO C[C@@H](O)C[C@H]1CCC[N@@H+]1CC(C)(C)O ZINC000159375385 134771550 /nfs/dbraw/zinc/77/15/50/134771550.db2.gz XTCZYJAOFMNGAS-NXEZZACHSA-N 1 0 201.310 0.993 10 70 BCIERO CCOC(=O)[C@H](N)CC[N@H+](C)[C@@H](C)CC ZINC000218578520 170274216 /nfs/dbraw/zinc/27/42/16/170274216.db2.gz ZLFYIYQQBSEMEI-VHSXEESVSA-N 1 0 216.325 0.997 10 70 BCIERO CCn1cccc1N1C[C@@H](C[NH3+])OC1=O ZINC000216701744 172210801 /nfs/dbraw/zinc/21/08/01/172210801.db2.gz RFDCDXRMLQTRST-MRVPVSSYSA-N 1 0 209.249 0.792 10 70 BCIERO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCn1ccnc1 ZINC000159732803 172386146 /nfs/dbraw/zinc/38/61/46/172386146.db2.gz BPZXXJURBMUGKJ-LLVKDONJSA-N 1 0 236.319 0.436 10 70 BCIERO CC(C)C[N@@H+]1CCC[C@@H]1CNS(C)(=O)=O ZINC000160281123 323075367 /nfs/dbraw/zinc/07/53/67/323075367.db2.gz UGTSYEPAMFLKFT-SNVBAGLBSA-N 1 0 234.365 0.656 10 70 BCIERO C[C@@H](CNC(=O)n1ccnc1)[N@H+](C)C1CC1 ZINC000218605263 592167679 /nfs/dbraw/zinc/16/76/79/592167679.db2.gz ZUVWEJSRIGUHHJ-VIFPVBQESA-N 1 0 222.292 0.924 10 70 BCIERO