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/nfs/dbraw/zinc/37/83/25/631378325.db2.gz AODSNWDXIHGVDV-UHFFFAOYSA-N 0 1 246.336 -0.551 20 0 BBADMN COC(=O)[C@](C)(O)CN(C)Cc1cnn(C)c1 ZINC000080210508 398229017 /nfs/dbraw/zinc/22/90/17/398229017.db2.gz ZGRXHVJRWPGLFK-LLVKDONJSA-N 0 1 241.291 -0.224 20 0 BBADMN COC(=O)[C@@](C)(O)CN(C)Cc1cnn(C)c1 ZINC000080210511 398229107 /nfs/dbraw/zinc/22/91/07/398229107.db2.gz ZGRXHVJRWPGLFK-NSHDSACASA-N 0 1 241.291 -0.224 20 0 BBADMN COC(=O)[C@](C)(O)CN1CCN(C2CC2)CC1 ZINC000080210547 398228977 /nfs/dbraw/zinc/22/89/77/398228977.db2.gz DEDNIXWLYVSQFZ-GFCCVEGCSA-N 0 1 242.319 -0.310 20 0 BBADMN COC(=O)[C@@](C)(O)CN1CCN(C2CC2)CC1 ZINC000080210550 398229047 /nfs/dbraw/zinc/22/90/47/398229047.db2.gz DEDNIXWLYVSQFZ-LBPRGKRZSA-N 0 1 242.319 -0.310 20 0 BBADMN CCN(CC(=O)N(C)C)C[C@](C)(O)C(=O)OC ZINC000080210642 344125854 /nfs/dbraw/zinc/12/58/54/344125854.db2.gz PZADCZAUBIBBEN-NSHDSACASA-N 0 1 246.307 -0.680 20 0 BBADMN CCN(CC(=O)N(C)C)C[C@@](C)(O)C(=O)OC ZINC000080210646 370736572 /nfs/dbraw/zinc/73/65/72/370736572.db2.gz PZADCZAUBIBBEN-LLVKDONJSA-N 0 1 246.307 -0.680 20 0 BBADMN CC[N@@H+](CC(=O)N(C)C)C[C@@](C)(O)C(=O)OC ZINC000080210646 370736569 /nfs/dbraw/zinc/73/65/69/370736569.db2.gz PZADCZAUBIBBEN-LLVKDONJSA-N 0 1 246.307 -0.680 20 0 BBADMN CCN(CC)C(=O)C[N@@H+](C)C[C@](C)(O)C(=O)[O-] ZINC000080210660 600760633 /nfs/dbraw/zinc/76/06/33/600760633.db2.gz YBBAZWMASXIOKB-NSHDSACASA-N 0 1 246.307 -0.378 20 0 BBADMN CCN(CC)C(=O)C[N@@H+](C)C[C@@](C)(O)C(=O)[O-] ZINC000080210665 600760685 /nfs/dbraw/zinc/76/06/85/600760685.db2.gz YBBAZWMASXIOKB-LLVKDONJSA-N 0 1 246.307 -0.378 20 0 BBADMN CCNC(=O)CN(CC)C[C@](C)(O)C(=O)OC ZINC000080210679 135367890 /nfs/dbraw/zinc/36/78/90/135367890.db2.gz SPEJAQGGTMAUAS-NSHDSACASA-N 0 1 246.307 -0.632 20 0 BBADMN CCNC(=O)CN(CC)C[C@@](C)(O)C(=O)OC ZINC000080210682 135368266 /nfs/dbraw/zinc/36/82/66/135368266.db2.gz SPEJAQGGTMAUAS-LLVKDONJSA-N 0 1 246.307 -0.632 20 0 BBADMN CNC(=O)[C@H]1CCCN1C[C@@](C)(O)C(=O)OC ZINC000080210717 173307435 /nfs/dbraw/zinc/30/74/35/173307435.db2.gz VQXXWYIXWGBMBF-LDYMZIIASA-N 0 1 244.291 -0.879 20 0 BBADMN CNC(=O)[C@H]1CCCN1C[C@](C)(O)C(=O)OC ZINC000080210718 173307156 /nfs/dbraw/zinc/30/71/56/173307156.db2.gz VQXXWYIXWGBMBF-KCJUWKMLSA-N 0 1 244.291 -0.879 20 0 BBADMN CCCN(CC(=O)NC)C[C@](C)(O)C(=O)OC ZINC000080210727 535278999 /nfs/dbraw/zinc/27/89/99/535278999.db2.gz KWERAUFAKAIAGQ-NSHDSACASA-N 0 1 246.307 -0.632 20 0 BBADMN CCCN(CC(=O)NC)C[C@@](C)(O)C(=O)OC ZINC000080210731 535278560 /nfs/dbraw/zinc/27/85/60/535278560.db2.gz KWERAUFAKAIAGQ-LLVKDONJSA-N 0 1 246.307 -0.632 20 0 BBADMN C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1C[C@](C)(O)C(=O)[O-] ZINC000080210804 600762842 /nfs/dbraw/zinc/76/28/42/600762842.db2.gz PKCNMPDZARARPI-FYBVGQRMSA-N 0 1 244.291 -0.592 20 0 BBADMN C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1C[C@](C)(O)C(=O)[O-] ZINC000080210813 600763121 /nfs/dbraw/zinc/76/31/21/600763121.db2.gz PKCNMPDZARARPI-XLDPMVHQSA-N 0 1 244.291 -0.592 20 0 BBADMN CC(=O)N1CCC[N@@H+](C[C@](C)(O)C(=O)[O-])CC1 ZINC000080210982 600761075 /nfs/dbraw/zinc/76/10/75/600761075.db2.gz VFGPOAXYGMENMX-NSHDSACASA-N 0 1 244.291 -0.624 20 0 BBADMN CC(=O)N1CCC[N@@H+](C[C@@](C)(O)C(=O)[O-])CC1 ZINC000080210988 600760660 /nfs/dbraw/zinc/76/06/60/600760660.db2.gz VFGPOAXYGMENMX-LLVKDONJSA-N 0 1 244.291 -0.624 20 0 BBADMN CCCCN(CC(N)=O)C[C@](C)(O)C(=O)OC ZINC000080211016 134399283 /nfs/dbraw/zinc/39/92/83/134399283.db2.gz VODWECYPRVXNBP-NSHDSACASA-N 0 1 246.307 -0.502 20 0 BBADMN CCCCN(CC(N)=O)C[C@@](C)(O)C(=O)OC ZINC000080211020 134399640 /nfs/dbraw/zinc/39/96/40/134399640.db2.gz VODWECYPRVXNBP-LLVKDONJSA-N 0 1 246.307 -0.502 20 0 BBADMN COC(=O)[C@@](C)(O)CN(CC(N)=O)CC(C)C ZINC000080211024 134399345 /nfs/dbraw/zinc/39/93/45/134399345.db2.gz PVHJZTPRGSWXPC-NSHDSACASA-N 0 1 246.307 -0.646 20 0 BBADMN COC(=O)[C@](C)(O)CN(CC(N)=O)CC(C)C ZINC000080211029 134399645 /nfs/dbraw/zinc/39/96/45/134399645.db2.gz PVHJZTPRGSWXPC-LLVKDONJSA-N 0 1 246.307 -0.646 20 0 BBADMN C[C@@](O)(CN1CC[C@H]([NH+]2CCCC2)C1)C(=O)[O-] ZINC000080211728 605496202 /nfs/dbraw/zinc/49/62/02/605496202.db2.gz HLCMCQOBAAEUCS-CMPLNLGQSA-N 0 1 242.319 -0.008 20 0 BBADMN C[C@@](O)(C[N@H+]1CC[C@H](N2CCCC2)C1)C(=O)[O-] ZINC000080211728 605496198 /nfs/dbraw/zinc/49/61/98/605496198.db2.gz HLCMCQOBAAEUCS-CMPLNLGQSA-N 0 1 242.319 -0.008 20 0 BBADMN C[C@](O)(CN1CC[C@H]([NH+]2CCCC2)C1)C(=O)[O-] ZINC000080211732 605496375 /nfs/dbraw/zinc/49/63/75/605496375.db2.gz HLCMCQOBAAEUCS-JQWIXIFHSA-N 0 1 242.319 -0.008 20 0 BBADMN C[C@](O)(C[N@H+]1CC[C@H](N2CCCC2)C1)C(=O)[O-] ZINC000080211732 605496371 /nfs/dbraw/zinc/49/63/71/605496371.db2.gz HLCMCQOBAAEUCS-JQWIXIFHSA-N 0 1 242.319 -0.008 20 0 BBADMN CCN1CC[N@@H+](C[C@](C)(O)C(=O)OC)C[C@@H]1C ZINC000080211853 370736125 /nfs/dbraw/zinc/73/61/25/370736125.db2.gz FRPQNJMOVAARFW-JQWIXIFHSA-N 0 1 244.335 -0.064 20 0 BBADMN CC[N@H+]1CCC[C@@H]1CNC(=O)c1n[nH]c(=O)[n-]1 ZINC000080287045 370745616 /nfs/dbraw/zinc/74/56/16/370745616.db2.gz XHDHQUOHMRZKRR-SSDOTTSWSA-N 0 1 239.279 -0.688 20 0 BBADMN CC[N@H+]1CCC[C@H]1CNC(=O)c1n[nH]c(=O)[n-]1 ZINC000080287048 370745626 /nfs/dbraw/zinc/74/56/26/370745626.db2.gz XHDHQUOHMRZKRR-ZETCQYMHSA-N 0 1 239.279 -0.688 20 0 BBADMN CN(CC(C)(C)O)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000080326364 644249433 /nfs/dbraw/zinc/24/94/33/644249433.db2.gz FUMXZBPSKQNFJP-RNFRBKRXSA-N 0 1 216.237 -0.119 20 0 BBADMN COCCOC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000080376736 644252484 /nfs/dbraw/zinc/25/24/84/644252484.db2.gz YBAYHGBMTSRQNT-RKDXNWHRSA-N 0 1 244.247 -0.475 20 0 BBADMN CN(Cc1nnc[nH]1)C(=O)c1ccc(=O)[nH]c1 ZINC000080524498 387997663 /nfs/dbraw/zinc/99/76/63/387997663.db2.gz QSQVOZYMOZTKQF-UHFFFAOYSA-N 0 1 233.231 -0.235 20 0 BBADMN CN(Cc1nnc[nH]1)C(=O)c1ccc[nH]c1=O ZINC000080525499 387997452 /nfs/dbraw/zinc/99/74/52/387997452.db2.gz JKFANXOAHAPCBZ-UHFFFAOYSA-N 0 1 233.231 -0.235 20 0 BBADMN O=C(NCCCc1nc[nH]n1)C1=COCCO1 ZINC000080567710 644277312 /nfs/dbraw/zinc/27/73/12/644277312.db2.gz BBZMGBFZRKKBAL-UHFFFAOYSA-N 0 1 238.247 -0.258 20 0 BBADMN Cn1nccc1C(=O)NCCCc1nc[nH]n1 ZINC000080567738 368518580 /nfs/dbraw/zinc/51/85/80/368518580.db2.gz NDAGSEVYYRTSLH-UHFFFAOYSA-N 0 1 234.263 -0.099 20 0 BBADMN O=C(NCCCc1nc[nH]n1)c1cnccn1 ZINC000080568584 368518808 /nfs/dbraw/zinc/51/88/08/368518808.db2.gz VMJRDNAKKLEJHS-UHFFFAOYSA-N 0 1 232.247 -0.043 20 0 BBADMN CCOCC(=O)NCCCc1nc[nH]n1 ZINC000080570568 343411701 /nfs/dbraw/zinc/41/17/01/343411701.db2.gz JSUHKEYRJZIWMO-UHFFFAOYSA-N 0 1 212.253 -0.110 20 0 BBADMN Cn1cc(C(=O)NCCCc2nc[nH]n2)cn1 ZINC000080570841 368518224 /nfs/dbraw/zinc/51/82/24/368518224.db2.gz DXTYJYIUOPQDJN-UHFFFAOYSA-N 0 1 234.263 -0.099 20 0 BBADMN O=C(NCCCc1nc[nH]n1)c1ccc(=O)[nH]c1 ZINC000080571034 368518186 /nfs/dbraw/zinc/51/81/86/368518186.db2.gz KNKQFIDDDYMPBG-UHFFFAOYSA-N 0 1 247.258 -0.144 20 0 BBADMN O=C(NCCCc1nc[nH]n1)c1ccc[nH]c1=O ZINC000080572570 388559512 /nfs/dbraw/zinc/55/95/12/388559512.db2.gz XBJGRCFMZXMCOW-UHFFFAOYSA-N 0 1 247.258 -0.144 20 0 BBADMN O=C(Cn1cccn1)NCCCc1nc[nH]n1 ZINC000080572899 490644930 /nfs/dbraw/zinc/64/49/30/490644930.db2.gz NYKMCBXSSZUMDI-UHFFFAOYSA-N 0 1 234.263 -0.250 20 0 BBADMN Cn1nccc1C=CC(=O)NCCc1nc[nH]n1 ZINC000080578057 388559408 /nfs/dbraw/zinc/55/94/08/388559408.db2.gz UCSWNSMUDNTGKE-NSCUHMNNSA-N 0 1 246.274 -0.090 20 0 BBADMN C[C@@H](C(=O)NCCc1nc[nH]n1)n1cccn1 ZINC000080580548 368519963 /nfs/dbraw/zinc/51/99/63/368519963.db2.gz OCZBXUYDUPHVKK-QMMMGPOBSA-N 0 1 234.263 -0.079 20 0 BBADMN C[C@H](C(=O)NCCc1nc[nH]n1)n1cccn1 ZINC000080580562 368520258 /nfs/dbraw/zinc/52/02/58/368520258.db2.gz OCZBXUYDUPHVKK-MRVPVSSYSA-N 0 1 234.263 -0.079 20 0 BBADMN Cc1cc(C)n(CC(=O)NCCc2nc[nH]n2)n1 ZINC000080580662 368520223 /nfs/dbraw/zinc/52/02/23/368520223.db2.gz HKILQNUEYMAKPF-UHFFFAOYSA-N 0 1 248.290 -0.023 20 0 BBADMN O=C(NCCc1nc[nH]n1)c1ncccc1O ZINC000080583127 135379647 /nfs/dbraw/zinc/37/96/47/135379647.db2.gz WPBSKXFMOLONCS-UHFFFAOYSA-N 0 1 233.231 -0.122 20 0 BBADMN O=C(NCCc1nc[nH]n1)c1ccc(=O)[nH]c1 ZINC000080583487 135379570 /nfs/dbraw/zinc/37/95/70/135379570.db2.gz LUNAAFXPBVIQAP-UHFFFAOYSA-N 0 1 233.231 -0.535 20 0 BBADMN Cn1cc(C=CC(=O)NCCc2nc[nH]n2)cn1 ZINC000080585347 631384306 /nfs/dbraw/zinc/38/43/06/631384306.db2.gz YRHPBGWBIYJMBO-NSCUHMNNSA-N 0 1 246.274 -0.090 20 0 BBADMN O=C(NCCc1nc[nH]n1)c1ccc[nH]c1=O ZINC000080585730 135379732 /nfs/dbraw/zinc/37/97/32/135379732.db2.gz NROFXXIZKOTQJF-UHFFFAOYSA-N 0 1 233.231 -0.535 20 0 BBADMN Cc1cnc(C(=O)NCCc2nc[nH]n2)cn1 ZINC000080586192 398181983 /nfs/dbraw/zinc/18/19/83/398181983.db2.gz BIGZWIXMUVSVBV-UHFFFAOYSA-N 0 1 232.247 -0.124 20 0 BBADMN c1nc(CCNc2nccn3cnnc23)n[nH]1 ZINC000080589649 135383408 /nfs/dbraw/zinc/38/34/08/135383408.db2.gz KNNHGSLNQIOGGU-UHFFFAOYSA-N 0 1 230.235 -0.103 20 0 BBADMN NC(=O)c1cc(NCCc2nc[nH]n2)ccn1 ZINC000080590527 135383099 /nfs/dbraw/zinc/38/30/99/135383099.db2.gz JKASYXGDXQEEMD-UHFFFAOYSA-N 0 1 232.247 -0.047 20 0 BBADMN CCCS(=O)(=O)NCCc1nc[nH]n1 ZINC000080623772 169332335 /nfs/dbraw/zinc/33/23/35/169332335.db2.gz KZXSJPOMXDCUIE-UHFFFAOYSA-N 0 1 218.282 -0.323 20 0 BBADMN CCS(=O)(=O)NCCc1nc[nH]n1 ZINC000080623965 487991576 /nfs/dbraw/zinc/99/15/76/487991576.db2.gz BQPGITQGALDLFT-UHFFFAOYSA-N 0 1 204.255 -0.714 20 0 BBADMN CCN1CCN(c2cncc(C(N)=O)n2)CC1 ZINC000080761509 345449275 /nfs/dbraw/zinc/44/92/75/345449275.db2.gz IQPHJHYDJOAIKX-UHFFFAOYSA-N 0 1 235.291 -0.283 20 0 BBADMN CCN1CCN(CC(=O)N(C)OC)CC1 ZINC000080988117 644299004 /nfs/dbraw/zinc/29/90/04/644299004.db2.gz YAYCPBHQEIQPEL-UHFFFAOYSA-N 0 1 215.297 -0.356 20 0 BBADMN OCCCN(CCO)c1ncnc2[nH]cnc21 ZINC000081005336 343415316 /nfs/dbraw/zinc/41/53/16/343415316.db2.gz PDIKFRDKWBEALV-UHFFFAOYSA-N 0 1 237.263 -0.466 20 0 BBADMN CCOC(=O)C1(O)CCN(CCCO)CC1 ZINC000081017716 345461632 /nfs/dbraw/zinc/46/16/32/345461632.db2.gz FICBBENUGDFMRX-UHFFFAOYSA-N 0 1 231.292 -0.241 20 0 BBADMN COCC(=O)N1CCN(C2CCOCC2)CC1 ZINC000081031412 136211153 /nfs/dbraw/zinc/21/11/53/136211153.db2.gz VBOASFRAHBTXCY-UHFFFAOYSA-N 0 1 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/nfs/dbraw/zinc/31/00/89/172310089.db2.gz NGZURCGGOHWTIS-UHFFFAOYSA-N 0 1 239.250 -0.137 20 0 BBADMN NCC(=O)N1CCN(c2ccccc2)C(=O)C1 ZINC000083911806 488214934 /nfs/dbraw/zinc/21/49/34/488214934.db2.gz XYWVHAYAEMPVBX-UHFFFAOYSA-N 0 1 233.271 -0.180 20 0 BBADMN CN(C(=O)CNC(=O)CN)C(C)(C)C ZINC000083930777 343510631 /nfs/dbraw/zinc/51/06/31/343510631.db2.gz AIZWUFJYPBCCMI-UHFFFAOYSA-N 0 1 201.270 -0.682 20 0 BBADMN O=C([O-])C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000083961505 388068055 /nfs/dbraw/zinc/06/80/55/388068055.db2.gz DUEGTTGJXIHLEP-QMMMGPOBSA-N 0 1 212.249 -0.232 20 0 BBADMN O=C([O-])C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000083961505 388068053 /nfs/dbraw/zinc/06/80/53/388068053.db2.gz DUEGTTGJXIHLEP-QMMMGPOBSA-N 0 1 212.249 -0.232 20 0 BBADMN O=C([O-])C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000083961507 388068855 /nfs/dbraw/zinc/06/88/55/388068855.db2.gz DUEGTTGJXIHLEP-MRVPVSSYSA-N 0 1 212.249 -0.232 20 0 BBADMN O=C([O-])C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000083961507 388068850 /nfs/dbraw/zinc/06/88/50/388068850.db2.gz DUEGTTGJXIHLEP-MRVPVSSYSA-N 0 1 212.249 -0.232 20 0 BBADMN NCC(=O)N1CCNC(=O)[C@H]1c1ccccc1 ZINC000083961515 181350769 /nfs/dbraw/zinc/35/07/69/181350769.db2.gz JIQLIEULHNDQNJ-LLVKDONJSA-N 0 1 233.271 -0.355 20 0 BBADMN NCC(=O)N1CCNC(=O)[C@@H]1c1ccccc1 ZINC000083961517 181349931 /nfs/dbraw/zinc/34/99/31/181349931.db2.gz JIQLIEULHNDQNJ-NSHDSACASA-N 0 1 233.271 -0.355 20 0 BBADMN C[N@H+]1CC[C@]2(CCN(C(=O)C(=O)[O-])C2)C1 ZINC000083961819 352106147 /nfs/dbraw/zinc/10/61/47/352106147.db2.gz BJCDXULWKQVEDO-JTQLQIEISA-N 0 1 212.249 -0.375 20 0 BBADMN C[N@H+]1CC[C@@]2(CCN(C(=O)C(=O)[O-])C2)C1 ZINC000083961821 352105984 /nfs/dbraw/zinc/10/59/84/352105984.db2.gz BJCDXULWKQVEDO-SNVBAGLBSA-N 0 1 212.249 -0.375 20 0 BBADMN COCCN(C)CCNCc1ncnn1C ZINC000083971027 487976776 /nfs/dbraw/zinc/97/67/76/487976776.db2.gz KJSSFBHATJIGFR-UHFFFAOYSA-N 0 1 227.312 -0.517 20 0 BBADMN C[C@@H](C[N@@H+](C)Cc1ncnn1C)C(=O)[O-] ZINC000083972340 601418890 /nfs/dbraw/zinc/41/88/90/601418890.db2.gz YVOBUEJRACIIDZ-ZETCQYMHSA-N 0 1 212.253 -0.032 20 0 BBADMN C[C@@H](C[N@H+](C)Cc1ncnn1C)C(=O)[O-] ZINC000083972340 601418889 /nfs/dbraw/zinc/41/88/89/601418889.db2.gz YVOBUEJRACIIDZ-ZETCQYMHSA-N 0 1 212.253 -0.032 20 0 BBADMN C[C@H](C[N@@H+](C)Cc1ncnn1C)C(=O)[O-] ZINC000083972344 601418806 /nfs/dbraw/zinc/41/88/06/601418806.db2.gz YVOBUEJRACIIDZ-SSDOTTSWSA-N 0 1 212.253 -0.032 20 0 BBADMN C[C@H](C[N@H+](C)Cc1ncnn1C)C(=O)[O-] ZINC000083972344 601418805 /nfs/dbraw/zinc/41/88/05/601418805.db2.gz YVOBUEJRACIIDZ-SSDOTTSWSA-N 0 1 212.253 -0.032 20 0 BBADMN Cn1ncnc1C[N@H+]1CC[C@H](C(=O)[O-])C1 ZINC000083972404 601413091 /nfs/dbraw/zinc/41/30/91/601413091.db2.gz PRNSEXMSYXSIIT-ZETCQYMHSA-N 0 1 210.237 -0.278 20 0 BBADMN Cn1ncnc1C[N@@H+]1CC[C@H](C(=O)[O-])C1 ZINC000083972404 601413089 /nfs/dbraw/zinc/41/30/89/601413089.db2.gz PRNSEXMSYXSIIT-ZETCQYMHSA-N 0 1 210.237 -0.278 20 0 BBADMN Cn1ncnc1C[N@H+]1CC[C@@H](C(=O)[O-])C1 ZINC000083972406 601412932 /nfs/dbraw/zinc/41/29/32/601412932.db2.gz PRNSEXMSYXSIIT-SSDOTTSWSA-N 0 1 210.237 -0.278 20 0 BBADMN Cn1ncnc1C[N@@H+]1CC[C@@H](C(=O)[O-])C1 ZINC000083972406 601412931 /nfs/dbraw/zinc/41/29/31/601412931.db2.gz PRNSEXMSYXSIIT-SSDOTTSWSA-N 0 1 210.237 -0.278 20 0 BBADMN C[C@@H]1C[N@@H+](Cc2ncnn2C)C[C@@H]1C(=O)[O-] ZINC000083972419 601536044 /nfs/dbraw/zinc/53/60/44/601536044.db2.gz JQFUZQZCDKKLHS-SFYZADRCSA-N 0 1 224.264 -0.032 20 0 BBADMN C[C@@H]1C[N@H+](Cc2ncnn2C)C[C@@H]1C(=O)[O-] ZINC000083972419 601536042 /nfs/dbraw/zinc/53/60/42/601536042.db2.gz JQFUZQZCDKKLHS-SFYZADRCSA-N 0 1 224.264 -0.032 20 0 BBADMN C[C@H]1C[N@@H+](Cc2ncnn2C)C[C@@H]1C(=O)[O-] ZINC000083972423 601536221 /nfs/dbraw/zinc/53/62/21/601536221.db2.gz JQFUZQZCDKKLHS-YUMQZZPRSA-N 0 1 224.264 -0.032 20 0 BBADMN C[C@H]1C[N@H+](Cc2ncnn2C)C[C@@H]1C(=O)[O-] ZINC000083972423 601536219 /nfs/dbraw/zinc/53/62/19/601536219.db2.gz JQFUZQZCDKKLHS-YUMQZZPRSA-N 0 1 224.264 -0.032 20 0 BBADMN CNC(=O)C[N@@H+](C)C/C=C(/C)C(=O)[O-] ZINC000084002368 601219786 /nfs/dbraw/zinc/21/97/86/601219786.db2.gz QDEZQXYCBLSGGP-DAXSKMNVSA-N 0 1 200.238 -0.305 20 0 BBADMN CNC(=O)C[N@H+](C)C/C=C(/C)C(=O)[O-] ZINC000084002368 601219783 /nfs/dbraw/zinc/21/97/83/601219783.db2.gz QDEZQXYCBLSGGP-DAXSKMNVSA-N 0 1 200.238 -0.305 20 0 BBADMN C/C(=C\C[NH+]1CCN(CCO)CC1)C(=O)[O-] ZINC000084002473 643640974 /nfs/dbraw/zinc/64/09/74/643640974.db2.gz VUQHSMMUFMKBIC-WTDSWWLTSA-N 0 1 228.292 -0.373 20 0 BBADMN COC(=O)/C(C)=C/CN(CCO)CCO ZINC000084002538 643640252 /nfs/dbraw/zinc/64/02/52/643640252.db2.gz FIKYCCXMXPEFRQ-YCRREMRBSA-N 0 1 217.265 -0.608 20 0 BBADMN C/C(=C\C[N@H+]1CCNC(=O)CC1)C(=O)[O-] ZINC000084003005 601162908 /nfs/dbraw/zinc/16/29/08/601162908.db2.gz AWSGFTQUIUTGSK-KRXBUXKQSA-N 0 1 212.249 -0.161 20 0 BBADMN C/C(=C\C[N@H+]1CCCNC(=O)C1)C(=O)[O-] ZINC000084003197 601161733 /nfs/dbraw/zinc/16/17/33/601161733.db2.gz LPNLGJVYDWMXIG-FPYGCLRLSA-N 0 1 212.249 -0.161 20 0 BBADMN C/C(=C\C[N@@H+]1CCCNC(=O)C1)C(=O)[O-] ZINC000084003197 601161732 /nfs/dbraw/zinc/16/17/32/601161732.db2.gz LPNLGJVYDWMXIG-FPYGCLRLSA-N 0 1 212.249 -0.161 20 0 BBADMN C[C@@H]1CC[C@H](C)N(C(=O)CNC(=O)CN)C1 ZINC000084048829 388070713 /nfs/dbraw/zinc/07/07/13/388070713.db2.gz AVCUYWITRUVMJT-BDAKNGLRSA-N 0 1 227.308 -0.292 20 0 BBADMN C[C@H]1CC[C@H](C)N(C(=O)CNC(=O)CN)C1 ZINC000084048836 388069789 /nfs/dbraw/zinc/06/97/89/388069789.db2.gz AVCUYWITRUVMJT-IUCAKERBSA-N 0 1 227.308 -0.292 20 0 BBADMN C[C@@H]1CC[C@@H](C)N(C(=O)CNC(=O)CN)C1 ZINC000084048841 352334885 /nfs/dbraw/zinc/33/48/85/352334885.db2.gz AVCUYWITRUVMJT-RKDXNWHRSA-N 0 1 227.308 -0.292 20 0 BBADMN C[C@@H]1CC[C@H](C)CN1C(=O)CNC(=O)CN ZINC000084048844 352334781 /nfs/dbraw/zinc/33/47/81/352334781.db2.gz AVCUYWITRUVMJT-DTWKUNHWSA-N 0 1 227.308 -0.292 20 0 BBADMN NCC(=O)NCC(=O)N[C@@H]1CC=CCC1 ZINC000084067235 368847634 /nfs/dbraw/zinc/84/76/34/368847634.db2.gz IBURRKFGKRPXNZ-MRVPVSSYSA-N 0 1 211.265 -0.714 20 0 BBADMN NCC(=O)NCC(=O)N[C@H]1CC=CCC1 ZINC000084067236 368847520 /nfs/dbraw/zinc/84/75/20/368847520.db2.gz IBURRKFGKRPXNZ-QMMMGPOBSA-N 0 1 211.265 -0.714 20 0 BBADMN O=C(NCc1cnc[nH]1)[C@@H]1CSCN1 ZINC000084081112 490365653 /nfs/dbraw/zinc/36/56/53/490365653.db2.gz QMHXBXKZCVBLTH-ZETCQYMHSA-N 0 1 212.278 -0.312 20 0 BBADMN O=C(NCc1cnc[nH]1)[C@H]1CSCN1 ZINC000084081113 490365744 /nfs/dbraw/zinc/36/57/44/490365744.db2.gz QMHXBXKZCVBLTH-SSDOTTSWSA-N 0 1 212.278 -0.312 20 0 BBADMN Cc1n[nH]cc1S(=O)(=O)NCc1cnc[nH]1 ZINC000084081454 631434263 /nfs/dbraw/zinc/43/42/63/631434263.db2.gz MEBKPMSJUSCVMZ-UHFFFAOYSA-N 0 1 241.276 -0.080 20 0 BBADMN O=C(CN1CSCC1=O)NCc1cnc[nH]1 ZINC000084081614 135182386 /nfs/dbraw/zinc/18/23/86/135182386.db2.gz OGXNLIGMOODTKE-UHFFFAOYSA-N 0 1 240.288 -0.441 20 0 BBADMN O=C(NCc1cnc[nH]1)[C@@H]1CSC(=O)N1 ZINC000084081626 644417418 /nfs/dbraw/zinc/41/74/18/644417418.db2.gz AUEMWQZLEQPZRZ-LURJTMIESA-N 0 1 226.261 -0.149 20 0 BBADMN O=C(NCc1cnc[nH]1)[C@H]1CSC(=O)N1 ZINC000084081627 644418402 /nfs/dbraw/zinc/41/84/02/644418402.db2.gz AUEMWQZLEQPZRZ-ZCFIWIBFSA-N 0 1 226.261 -0.149 20 0 BBADMN O=C(Cn1cccn1)NCc1cnc[nH]1 ZINC000084081817 135181542 /nfs/dbraw/zinc/18/15/42/135181542.db2.gz CHOVYBZNZCPXHO-UHFFFAOYSA-N 0 1 205.221 -0.077 20 0 BBADMN COCCCS(=O)(=O)NCc1cnc[nH]1 ZINC000084081889 487998056 /nfs/dbraw/zinc/99/80/56/487998056.db2.gz UPVUWDZINCRPNF-UHFFFAOYSA-N 0 1 233.293 -0.134 20 0 BBADMN Cn1cnc(S(=O)(=O)NCc2cnc[nH]2)c1 ZINC000084081890 487997619 /nfs/dbraw/zinc/99/76/19/487997619.db2.gz BVOQGURULCYQGZ-UHFFFAOYSA-N 0 1 241.276 -0.378 20 0 BBADMN CN(C)S(=O)(=O)NCc1cnc[nH]1 ZINC000084081891 487703372 /nfs/dbraw/zinc/70/33/72/487703372.db2.gz QNCXHRSCBNJTOH-UHFFFAOYSA-N 0 1 204.255 -0.694 20 0 BBADMN O=S(=O)(NCc1cnc[nH]1)N1CCCC1 ZINC000084081900 487996963 /nfs/dbraw/zinc/99/69/63/487996963.db2.gz NMGRKDBXBAQQLB-UHFFFAOYSA-N 0 1 230.293 -0.160 20 0 BBADMN O=S(=O)(NCc1cnc[nH]1)N1CCOCC1 ZINC000084081905 487996423 /nfs/dbraw/zinc/99/64/23/487996423.db2.gz HZJUNZNCBVJQCW-UHFFFAOYSA-N 0 1 246.292 -0.924 20 0 BBADMN CCOCCS(=O)(=O)NCc1cnc[nH]1 ZINC000084081913 487997088 /nfs/dbraw/zinc/99/70/88/487997088.db2.gz NOPSCCDSKNCTDZ-UHFFFAOYSA-N 0 1 233.293 -0.134 20 0 BBADMN O=S(=O)(NCc1cnc[nH]1)C1CC1 ZINC000084081921 487996626 /nfs/dbraw/zinc/99/66/26/487996626.db2.gz APNRBDGFUDLWFW-UHFFFAOYSA-N 0 1 201.251 -0.009 20 0 BBADMN Cn1cc(S(=O)(=O)NCc2cnc[nH]2)cn1 ZINC000084081922 487996570 /nfs/dbraw/zinc/99/65/70/487996570.db2.gz SIAKNDCJEJYWEN-UHFFFAOYSA-N 0 1 241.276 -0.378 20 0 BBADMN CN(C)C(=O)C[N@@H+](C)[C@H](C(=O)[O-])C1CC1 ZINC000084093421 488003410 /nfs/dbraw/zinc/00/34/10/488003410.db2.gz IUQGBAIRYRSRJB-VIFPVBQESA-N 0 1 214.265 -0.130 20 0 BBADMN CN(C)C(=O)C[N@H+](C)[C@H](C(=O)[O-])C1CC1 ZINC000084093421 488003407 /nfs/dbraw/zinc/00/34/07/488003407.db2.gz IUQGBAIRYRSRJB-VIFPVBQESA-N 0 1 214.265 -0.130 20 0 BBADMN CN(C)C(=O)C[N@@H+](C)[C@@H](C(=O)[O-])C1CC1 ZINC000084093423 488003564 /nfs/dbraw/zinc/00/35/64/488003564.db2.gz IUQGBAIRYRSRJB-SECBINFHSA-N 0 1 214.265 -0.130 20 0 BBADMN CN(C)C(=O)C[N@H+](C)[C@@H](C(=O)[O-])C1CC1 ZINC000084093423 488003561 /nfs/dbraw/zinc/00/35/61/488003561.db2.gz IUQGBAIRYRSRJB-SECBINFHSA-N 0 1 214.265 -0.130 20 0 BBADMN CC[N@@H+](CC(=O)NC)[C@H](C(=O)[O-])C1CC1 ZINC000084094144 644417611 /nfs/dbraw/zinc/41/76/11/644417611.db2.gz FCERDMGIFWFUGZ-VIFPVBQESA-N 0 1 214.265 -0.083 20 0 BBADMN CC[N@H+](CC(=O)NC)[C@H](C(=O)[O-])C1CC1 ZINC000084094144 644417607 /nfs/dbraw/zinc/41/76/07/644417607.db2.gz FCERDMGIFWFUGZ-VIFPVBQESA-N 0 1 214.265 -0.083 20 0 BBADMN CC[N@@H+](CC(=O)NC)[C@@H](C(=O)[O-])C1CC1 ZINC000084094146 644418745 /nfs/dbraw/zinc/41/87/45/644418745.db2.gz FCERDMGIFWFUGZ-SECBINFHSA-N 0 1 214.265 -0.083 20 0 BBADMN CC[N@H+](CC(=O)NC)[C@@H](C(=O)[O-])C1CC1 ZINC000084094146 644418743 /nfs/dbraw/zinc/41/87/43/644418743.db2.gz FCERDMGIFWFUGZ-SECBINFHSA-N 0 1 214.265 -0.083 20 0 BBADMN CCNC(=O)C[N@@H+](C)[C@H](C(=O)[O-])C1CC1 ZINC000084094200 487703280 /nfs/dbraw/zinc/70/32/80/487703280.db2.gz BDEXBEANMLEXQF-VIFPVBQESA-N 0 1 214.265 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/nfs/dbraw/zinc/30/90/92/187309092.db2.gz RDVNRIKNQHYYML-SNVBAGLBSA-N 0 1 211.265 -0.339 20 0 BBADMN Cc1cnc(CNCCOCCO)n1C ZINC000336739005 386667689 /nfs/dbraw/zinc/66/76/89/386667689.db2.gz RYLXCTNHEUVYJW-UHFFFAOYSA-N 0 1 213.281 -0.173 20 0 BBADMN Cc1cnc(CNC[C@]2(O)CCOC2)n1C ZINC000336740706 385820338 /nfs/dbraw/zinc/82/03/38/385820338.db2.gz QIBGEOWMCBDRBF-LLVKDONJSA-N 0 1 225.292 -0.030 20 0 BBADMN Cc1cnc(CNC[C@@]2(O)CCOC2)n1C ZINC000336740707 385820215 /nfs/dbraw/zinc/82/02/15/385820215.db2.gz QIBGEOWMCBDRBF-NSHDSACASA-N 0 1 225.292 -0.030 20 0 BBADMN Cn1nnnc1CNC1(CO)CCCC1 ZINC000336741654 385737447 /nfs/dbraw/zinc/73/74/47/385737447.db2.gz VXWLBHXHVYEEEJ-UHFFFAOYSA-N 0 1 211.269 -0.395 20 0 BBADMN COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)[O-] ZINC000336741922 174307170 /nfs/dbraw/zinc/30/71/70/174307170.db2.gz NRPLFKUPPCIMCE-MRVPVSSYSA-N 0 1 230.264 -0.702 20 0 BBADMN COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)[O-] ZINC000336741923 174307743 /nfs/dbraw/zinc/30/77/43/174307743.db2.gz NRPLFKUPPCIMCE-QMMMGPOBSA-N 0 1 230.264 -0.702 20 0 BBADMN C[C@H](CNC(=O)C(=O)[O-])C[NH+]1CCOCC1 ZINC000336742201 398132205 /nfs/dbraw/zinc/13/22/05/398132205.db2.gz NXZRWQOJNXNYCS-MRVPVSSYSA-N 0 1 230.264 -0.845 20 0 BBADMN C[C@@H](CNC(=O)C(=O)[O-])C[NH+]1CCOCC1 ZINC000336742202 398132211 /nfs/dbraw/zinc/13/22/11/398132211.db2.gz NXZRWQOJNXNYCS-QMMMGPOBSA-N 0 1 230.264 -0.845 20 0 BBADMN CCC[N@H+]1CC[C@H](CNC(=O)C(=O)[O-])C1 ZINC000336745883 169207127 /nfs/dbraw/zinc/20/71/27/169207127.db2.gz BOSFYFNCUORWBH-MRVPVSSYSA-N 0 1 214.265 -0.081 20 0 BBADMN CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)[O-])C1 ZINC000336745884 169204517 /nfs/dbraw/zinc/20/45/17/169204517.db2.gz BOSFYFNCUORWBH-QMMMGPOBSA-N 0 1 214.265 -0.081 20 0 BBADMN CCC[C@H](NC(=O)CC[NH3+])c1nn[n-]n1 ZINC000336747010 384616641 /nfs/dbraw/zinc/61/66/41/384616641.db2.gz RRCFKUKWQMFSHX-LURJTMIESA-N 0 1 212.257 -0.494 20 0 BBADMN CCC[C@@H](NC(=O)CC[NH3+])c1nn[n-]n1 ZINC000336747015 169395661 /nfs/dbraw/zinc/39/56/61/169395661.db2.gz RRCFKUKWQMFSHX-ZCFIWIBFSA-N 0 1 212.257 -0.494 20 0 BBADMN CCOCCCCNC(=O)[C@H](N)COC ZINC000336747028 170368802 /nfs/dbraw/zinc/36/88/02/170368802.db2.gz RSWMYYKEYGTTNY-SECBINFHSA-N 0 1 218.297 -0.107 20 0 BBADMN CCOCCCCNC(=O)[C@@H](N)COC ZINC000336747030 170368660 /nfs/dbraw/zinc/36/86/60/170368660.db2.gz RSWMYYKEYGTTNY-VIFPVBQESA-N 0 1 218.297 -0.107 20 0 BBADMN COCCCn1ccc(NC(=O)CN)n1 ZINC000336749048 411509050 /nfs/dbraw/zinc/50/90/50/411509050.db2.gz TXZPTOMPEABFNU-UHFFFAOYSA-N 0 1 212.253 -0.183 20 0 BBADMN CN(C(=O)C(=O)[O-])[C@@H]1CC[N@H+](C2CC2)C1 ZINC000336749681 172294953 /nfs/dbraw/zinc/29/49/53/172294953.db2.gz FFLDDRVULIMAHA-MRVPVSSYSA-N 0 1 212.249 -0.234 20 0 BBADMN CN(C(=O)C(=O)[O-])[C@H]1CC[N@H+](C2CC2)C1 ZINC000336749682 172295095 /nfs/dbraw/zinc/29/50/95/172295095.db2.gz FFLDDRVULIMAHA-QMMMGPOBSA-N 0 1 212.249 -0.234 20 0 BBADMN CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)[O-] ZINC000336752850 386020979 /nfs/dbraw/zinc/02/09/79/386020979.db2.gz HHAIJRJGGFTSJL-MRVPVSSYSA-N 0 1 214.265 -0.130 20 0 BBADMN CN(CCCNC(=O)C(=O)[O-])CC[NH+](C)C ZINC000336753349 386023741 /nfs/dbraw/zinc/02/37/41/386023741.db2.gz WEZDKATYLYBQTA-UHFFFAOYSA-N 0 1 231.296 -0.929 20 0 BBADMN CN(C)CC[N@@H+](C)CCCNC(=O)C(=O)[O-] ZINC000336753349 386023736 /nfs/dbraw/zinc/02/37/36/386023736.db2.gz WEZDKATYLYBQTA-UHFFFAOYSA-N 0 1 231.296 -0.929 20 0 BBADMN C[C@H](CF)NCc1cn(C)c(=O)n(C)c1=O ZINC000336754350 386438607 /nfs/dbraw/zinc/43/86/07/386438607.db2.gz WXXIGZMYRWAWRK-SSDOTTSWSA-N 0 1 229.255 -0.468 20 0 BBADMN C[C@@H](CF)NCc1cn(C)c(=O)n(C)c1=O ZINC000336754351 386438717 /nfs/dbraw/zinc/43/87/17/386438717.db2.gz WXXIGZMYRWAWRK-ZETCQYMHSA-N 0 1 229.255 -0.468 20 0 BBADMN C[C@@H]1COCC[C@H]1NCc1nnnn1C ZINC000336754587 176345017 /nfs/dbraw/zinc/34/50/17/176345017.db2.gz IJIDJFVFQOYKRP-HTQZYQBOSA-N 0 1 211.269 -0.275 20 0 BBADMN C[C@H]1COCC[C@H]1NCc1nnnn1C ZINC000336754588 177297003 /nfs/dbraw/zinc/29/70/03/177297003.db2.gz IJIDJFVFQOYKRP-JGVFFNPUSA-N 0 1 211.269 -0.275 20 0 BBADMN C[C@@H]1COCC[C@@H]1NCc1nnnn1C ZINC000336754589 176340951 /nfs/dbraw/zinc/34/09/51/176340951.db2.gz IJIDJFVFQOYKRP-SFYZADRCSA-N 0 1 211.269 -0.275 20 0 BBADMN C[C@H]1COCC[C@@H]1NCc1nnnn1C ZINC000336754590 177294942 /nfs/dbraw/zinc/29/49/42/177294942.db2.gz IJIDJFVFQOYKRP-YUMQZZPRSA-N 0 1 211.269 -0.275 20 0 BBADMN CNC(=O)NC(=O)CN[C@@H](C)c1cn[nH]c1 ZINC000336754684 173287526 /nfs/dbraw/zinc/28/75/26/173287526.db2.gz FVOGVSMHTVKVOH-LURJTMIESA-N 0 1 225.252 -0.484 20 0 BBADMN CNC(=O)NC(=O)CN[C@H](C)c1cn[nH]c1 ZINC000336754688 173287568 /nfs/dbraw/zinc/28/75/68/173287568.db2.gz FVOGVSMHTVKVOH-ZCFIWIBFSA-N 0 1 225.252 -0.484 20 0 BBADMN CCS(=O)(=O)C[C@@H](C)N(C)C(=O)CN ZINC000336754883 386525647 /nfs/dbraw/zinc/52/56/47/386525647.db2.gz IQARQIYDUJISBU-SSDOTTSWSA-N 0 1 222.310 -0.773 20 0 BBADMN CCS(=O)(=O)C[C@H](C)N(C)C(=O)CN ZINC000336754888 386525506 /nfs/dbraw/zinc/52/55/06/386525506.db2.gz IQARQIYDUJISBU-ZETCQYMHSA-N 0 1 222.310 -0.773 20 0 BBADMN C[C@H](CS(C)(=O)=O)N[C@H]1CCCN(C)C1=O ZINC000336755254 386535419 /nfs/dbraw/zinc/53/54/19/386535419.db2.gz XQCHEOHOQKOGRY-BDAKNGLRSA-N 0 1 248.348 -0.370 20 0 BBADMN C[C@@H](CS(C)(=O)=O)N[C@@H]1CCCN(C)C1=O ZINC000336755256 386534234 /nfs/dbraw/zinc/53/42/34/386534234.db2.gz XQCHEOHOQKOGRY-DTWKUNHWSA-N 0 1 248.348 -0.370 20 0 BBADMN C[C@@H](CS(C)(=O)=O)N[C@H]1CCCN(C)C1=O ZINC000336755258 386535750 /nfs/dbraw/zinc/53/57/50/386535750.db2.gz XQCHEOHOQKOGRY-IUCAKERBSA-N 0 1 248.348 -0.370 20 0 BBADMN C[C@H](CS(C)(=O)=O)N[C@@H]1CCCN(C)C1=O ZINC000336755259 386533976 /nfs/dbraw/zinc/53/39/76/386533976.db2.gz XQCHEOHOQKOGRY-RKDXNWHRSA-N 0 1 248.348 -0.370 20 0 BBADMN CCN(C)C(=O)CN[C@H](C(=O)NC)C(C)C ZINC000336756393 386564609 /nfs/dbraw/zinc/56/46/09/386564609.db2.gz GZWYENBMDTWLHE-JTQLQIEISA-N 0 1 229.324 -0.175 20 0 BBADMN CCN(C)C(=O)CN[C@@H](C(=O)NC)C(C)C ZINC000336756395 386564617 /nfs/dbraw/zinc/56/46/17/386564617.db2.gz GZWYENBMDTWLHE-SNVBAGLBSA-N 0 1 229.324 -0.175 20 0 BBADMN Cc1nc(=NC[C@]2(O)CC[N@H+](C)C2)s[n-]1 ZINC000336759839 179874523 /nfs/dbraw/zinc/87/45/23/179874523.db2.gz LCYAAHOGXAKAMT-SECBINFHSA-N 0 1 228.321 -0.253 20 0 BBADMN Cc1nc(=NC[C@@]2(O)CC[N@H+](C)C2)s[n-]1 ZINC000336759841 386691691 /nfs/dbraw/zinc/69/16/91/386691691.db2.gz LCYAAHOGXAKAMT-VIFPVBQESA-N 0 1 228.321 -0.253 20 0 BBADMN COC(=O)[C@]1(NCc2cnc[nH]2)CCOC1 ZINC000336760105 386699039 /nfs/dbraw/zinc/69/90/39/386699039.db2.gz JNRMSQBMCCNJOS-JTQLQIEISA-N 0 1 225.248 -0.169 20 0 BBADMN COC(=O)[C@@]1(NCc2cnc[nH]2)CCOC1 ZINC000336760106 384956837 /nfs/dbraw/zinc/95/68/37/384956837.db2.gz JNRMSQBMCCNJOS-SNVBAGLBSA-N 0 1 225.248 -0.169 20 0 BBADMN CNC(=O)CNCc1c[nH]c2nccnc12 ZINC000336761500 173277262 /nfs/dbraw/zinc/27/72/62/173277262.db2.gz KORVDECAVQGQIA-UHFFFAOYSA-N 0 1 219.248 -0.255 20 0 BBADMN COC[C@@H](NCc1nc(=O)n(C)[nH]1)C1CC1 ZINC000336762429 386934745 /nfs/dbraw/zinc/93/47/45/386934745.db2.gz LHNCZCVRBPACIC-MRVPVSSYSA-N 0 1 226.280 -0.377 20 0 BBADMN COC[C@H](NCc1nc(=O)n(C)[nH]1)C1CC1 ZINC000336762430 386933427 /nfs/dbraw/zinc/93/34/27/386933427.db2.gz LHNCZCVRBPACIC-QMMMGPOBSA-N 0 1 226.280 -0.377 20 0 BBADMN COC[C@H](N[C@H]1CCNC1=O)[C@@H]1CCCO1 ZINC000336762815 386940123 /nfs/dbraw/zinc/94/01/23/386940123.db2.gz LTHGQCXLJWGKQD-GUBZILKMSA-N 0 1 228.292 -0.342 20 0 BBADMN COC[C@H](N[C@@H]1CCNC1=O)[C@H]1CCCO1 ZINC000336762816 386941224 /nfs/dbraw/zinc/94/12/24/386941224.db2.gz LTHGQCXLJWGKQD-KXUCPTDWSA-N 0 1 228.292 -0.342 20 0 BBADMN COC[C@H](N[C@H]1CCNC1=O)[C@H]1CCCO1 ZINC000336762817 386940567 /nfs/dbraw/zinc/94/05/67/386940567.db2.gz LTHGQCXLJWGKQD-LPEHRKFASA-N 0 1 228.292 -0.342 20 0 BBADMN COC[C@H](N[C@@H]1CCNC1=O)[C@@H]1CCCO1 ZINC000336762818 386942155 /nfs/dbraw/zinc/94/21/55/386942155.db2.gz LTHGQCXLJWGKQD-UTLUCORTSA-N 0 1 228.292 -0.342 20 0 BBADMN COCC(C)(C)NCc1nc(=O)n(C)[nH]1 ZINC000336764734 174083053 /nfs/dbraw/zinc/08/30/53/174083053.db2.gz QFPNNAALVYNPIP-UHFFFAOYSA-N 0 1 214.269 -0.377 20 0 BBADMN CNC(=O)CN[C@]1(CC(=O)OC)CCOC1 ZINC000336766760 173278584 /nfs/dbraw/zinc/27/85/84/173278584.db2.gz PHBWFDWNOHZNDN-JTQLQIEISA-N 0 1 230.264 -0.956 20 0 BBADMN CNC(=O)CN[C@@]1(CC(=O)OC)CCOC1 ZINC000336766766 173278110 /nfs/dbraw/zinc/27/81/10/173278110.db2.gz PHBWFDWNOHZNDN-SNVBAGLBSA-N 0 1 230.264 -0.956 20 0 BBADMN COC(=O)[C@@H](NCc1[nH]ncc1C)[C@@H](C)O ZINC000336767100 398223164 /nfs/dbraw/zinc/22/31/64/398223164.db2.gz PKJNAWVPHDGPOK-APPZFPTMSA-N 0 1 227.264 -0.270 20 0 BBADMN COC(=O)[C@@H](NCc1[nH]ncc1C)[C@H](C)O ZINC000336767103 398222416 /nfs/dbraw/zinc/22/24/16/398222416.db2.gz PKJNAWVPHDGPOK-CBAPKCEASA-N 0 1 227.264 -0.270 20 0 BBADMN COC(=O)[C@H](NCc1[nH]ncc1C)[C@H](C)O ZINC000336767108 398222617 /nfs/dbraw/zinc/22/26/17/398222617.db2.gz PKJNAWVPHDGPOK-IONNQARKSA-N 0 1 227.264 -0.270 20 0 BBADMN COC(=O)[C@H](NCc1[nH]ncc1C)[C@@H](C)O ZINC000336767113 387120146 /nfs/dbraw/zinc/12/01/46/387120146.db2.gz PKJNAWVPHDGPOK-VXNVDRBHSA-N 0 1 227.264 -0.270 20 0 BBADMN Cc1cnn(C)c1CNCC(=O)N(C)C ZINC000336767134 387120702 /nfs/dbraw/zinc/12/07/02/387120702.db2.gz SGTUODHQSFOZAD-UHFFFAOYSA-N 0 1 210.281 -0.094 20 0 BBADMN CNC(=O)CNC1(C(N)=O)CCCCC1 ZINC000336768185 173276984 /nfs/dbraw/zinc/27/69/84/173276984.db2.gz UAPACWNVXYHIPQ-UHFFFAOYSA-N 0 1 213.281 -0.490 20 0 BBADMN COC[C@@](C)(CC(=O)OC)NCC(N)=O ZINC000336768956 385971994 /nfs/dbraw/zinc/97/19/94/385971994.db2.gz UPXGHEXZJISHFG-SECBINFHSA-N 0 1 218.253 -0.971 20 0 BBADMN COC[C@](C)(CC(=O)OC)NCC(N)=O ZINC000336768963 385972499 /nfs/dbraw/zinc/97/24/99/385972499.db2.gz UPXGHEXZJISHFG-VIFPVBQESA-N 0 1 218.253 -0.971 20 0 BBADMN COC(=O)[C@@H](NCc1cn[nH]c1C)[C@@H](C)O ZINC000336769068 385979210 /nfs/dbraw/zinc/97/92/10/385979210.db2.gz RPMBMWDLCLGZNI-APPZFPTMSA-N 0 1 227.264 -0.270 20 0 BBADMN COC(=O)[C@@H](NCc1cn[nH]c1C)[C@H](C)O ZINC000336769069 173711683 /nfs/dbraw/zinc/71/16/83/173711683.db2.gz RPMBMWDLCLGZNI-CBAPKCEASA-N 0 1 227.264 -0.270 20 0 BBADMN COC(=O)[C@H](NCc1cn[nH]c1C)[C@H](C)O ZINC000336769070 385977995 /nfs/dbraw/zinc/97/79/95/385977995.db2.gz RPMBMWDLCLGZNI-IONNQARKSA-N 0 1 227.264 -0.270 20 0 BBADMN COC(=O)[C@H](NCc1cn[nH]c1C)[C@@H](C)O ZINC000336769071 385978300 /nfs/dbraw/zinc/97/83/00/385978300.db2.gz RPMBMWDLCLGZNI-VXNVDRBHSA-N 0 1 227.264 -0.270 20 0 BBADMN CC(C)[C@@](C)(CO)NCc1nnnn1C ZINC000336769889 385995310 /nfs/dbraw/zinc/99/53/10/385995310.db2.gz WDHKFBRGCSDEKV-SECBINFHSA-N 0 1 213.285 -0.293 20 0 BBADMN CC(C)[C@](C)(CO)NCc1nnnn1C ZINC000336769890 385994765 /nfs/dbraw/zinc/99/47/65/385994765.db2.gz WDHKFBRGCSDEKV-VIFPVBQESA-N 0 1 213.285 -0.293 20 0 BBADMN CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)[O-])C1 ZINC000336770385 386014480 /nfs/dbraw/zinc/01/44/80/386014480.db2.gz WPPFQYJQJUAMIY-MRVPVSSYSA-N 0 1 214.265 -0.129 20 0 BBADMN CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)[O-])C1 ZINC000336770387 169704356 /nfs/dbraw/zinc/70/43/56/169704356.db2.gz WPPFQYJQJUAMIY-QMMMGPOBSA-N 0 1 214.265 -0.129 20 0 BBADMN CNC(=O)CN[C@H](COC)[C@@H]1CCCO1 ZINC000336771840 173278488 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/nfs/dbraw/zinc/50/12/28/538501228.db2.gz SLCYVCLQYWDGOX-QWRGUYRKSA-N 0 1 244.335 -0.064 20 0 BBADMN COCC[C@H](C)N1CCN(C(=O)[C@@H](C)O)CC1 ZINC000346216502 538500714 /nfs/dbraw/zinc/50/07/14/538500714.db2.gz SLCYVCLQYWDGOX-WDEREUQCSA-N 0 1 244.335 -0.064 20 0 BBADMN COC(C)(C)CCN1CCO[C@@H](C(N)=O)C1 ZINC000346261437 354883298 /nfs/dbraw/zinc/88/32/98/354883298.db2.gz MXPODVFZBYLSPS-SECBINFHSA-N 0 1 230.308 -0.012 20 0 BBADMN COC(C)(C)CCN1CCO[C@H](C(N)=O)C1 ZINC000346261438 354882954 /nfs/dbraw/zinc/88/29/54/354882954.db2.gz MXPODVFZBYLSPS-VIFPVBQESA-N 0 1 230.308 -0.012 20 0 BBADMN CNC(=O)CC(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000346291179 173229333 /nfs/dbraw/zinc/22/93/33/173229333.db2.gz HQLLUIATXVYGGT-GFCCVEGCSA-N 0 1 239.319 -0.323 20 0 BBADMN CNC(=O)CC(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000346291184 173230222 /nfs/dbraw/zinc/23/02/22/173230222.db2.gz HQLLUIATXVYGGT-LBPRGKRZSA-N 0 1 239.319 -0.323 20 0 BBADMN C[C@@H](O)C(=O)NCCN1CCCOCC1 ZINC000346321807 354896115 /nfs/dbraw/zinc/89/61/15/354896115.db2.gz XCBORPTXMHCXAZ-SECBINFHSA-N 0 1 216.281 -0.794 20 0 BBADMN CN(C)CC(=O)NCCCN1C(=O)CCC1=O ZINC000346336751 354899724 /nfs/dbraw/zinc/89/97/24/354899724.db2.gz YMIHZZFGKSMZEL-UHFFFAOYSA-N 0 1 241.291 -0.797 20 0 BBADMN Cc1[nH]nc(C(=O)Nc2nn[nH]n2)c1C ZINC000346340126 386194774 /nfs/dbraw/zinc/19/47/74/386194774.db2.gz DLSVPYKIDHFNPW-UHFFFAOYSA-N 0 1 207.197 -0.208 20 0 BBADMN CC[S@](=O)CC(=O)Nc1nnc(C)[nH]1 ZINC000346346142 354886421 /nfs/dbraw/zinc/88/64/21/354886421.db2.gz VTGBUHMPYRUZCS-AWEZNQCLSA-N 0 1 216.266 -0.180 20 0 BBADMN CC[S@@](=O)CC(=O)Nc1nnc(C)[nH]1 ZINC000346346220 354886722 /nfs/dbraw/zinc/88/67/22/354886722.db2.gz VTGBUHMPYRUZCS-CQSZACIVSA-N 0 1 216.266 -0.180 20 0 BBADMN CCNC(=O)CCN1C[C@H](F)C[C@H]1CO ZINC000346349350 354887367 /nfs/dbraw/zinc/88/73/67/354887367.db2.gz BUUYFJBFTRWBRF-BDAKNGLRSA-N 0 1 218.272 -0.083 20 0 BBADMN CCNC(=O)CCN1C[C@@H](F)C[C@@H]1CO ZINC000346349352 354887332 /nfs/dbraw/zinc/88/73/32/354887332.db2.gz BUUYFJBFTRWBRF-DTWKUNHWSA-N 0 1 218.272 -0.083 20 0 BBADMN CCNC(=O)CCN1C[C@@H](F)C[C@H]1CO ZINC000346349353 354887523 /nfs/dbraw/zinc/88/75/23/354887523.db2.gz BUUYFJBFTRWBRF-IUCAKERBSA-N 0 1 218.272 -0.083 20 0 BBADMN CCNC(=O)CCN1C[C@H](F)C[C@@H]1CO ZINC000346349354 354887314 /nfs/dbraw/zinc/88/73/14/354887314.db2.gz BUUYFJBFTRWBRF-RKDXNWHRSA-N 0 1 218.272 -0.083 20 0 BBADMN COC(=O)c1cccc(C(=O)Nc2nn[nH]n2)n1 ZINC000346357734 412343630 /nfs/dbraw/zinc/34/36/30/412343630.db2.gz YZIDODNBPQHPPR-UHFFFAOYSA-N 0 1 248.202 -0.366 20 0 BBADMN CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)CN(C)C ZINC000346369431 354901955 /nfs/dbraw/zinc/90/19/55/354901955.db2.gz PGBJVKCATAHRQT-BDAKNGLRSA-N 0 1 227.308 -0.421 20 0 BBADMN CNC(=O)[C@H]1CCC[C@H]1NC(=O)CN(C)C ZINC000346369442 354902334 /nfs/dbraw/zinc/90/23/34/354902334.db2.gz PGBJVKCATAHRQT-DTWKUNHWSA-N 0 1 227.308 -0.421 20 0 BBADMN CNC(=O)[C@H]1CCC[C@@H]1NC(=O)CN(C)C ZINC000346369455 354902365 /nfs/dbraw/zinc/90/23/65/354902365.db2.gz PGBJVKCATAHRQT-IUCAKERBSA-N 0 1 227.308 -0.421 20 0 BBADMN CNC(=O)[C@@H]1CCC[C@H]1NC(=O)CN(C)C ZINC000346369458 354902153 /nfs/dbraw/zinc/90/21/53/354902153.db2.gz PGBJVKCATAHRQT-RKDXNWHRSA-N 0 1 227.308 -0.421 20 0 BBADMN CC(=O)c1cc(C(=O)Nc2nn[nH]n2)n(C)c1 ZINC000346374318 354902929 /nfs/dbraw/zinc/90/29/29/354902929.db2.gz NMQQNCFRSQYDPT-UHFFFAOYSA-N 0 1 234.219 -0.007 20 0 BBADMN COC[C@@H]1CN(C(=O)Cc2ccn[nH]2)CCO1 ZINC000346382503 354905610 /nfs/dbraw/zinc/90/56/10/354905610.db2.gz NWKCZYMNFREHCW-JTQLQIEISA-N 0 1 239.275 -0.174 20 0 BBADMN COC[C@H]1CN(C(=O)Cc2ccn[nH]2)CCO1 ZINC000346382504 354905836 /nfs/dbraw/zinc/90/58/36/354905836.db2.gz NWKCZYMNFREHCW-SNVBAGLBSA-N 0 1 239.275 -0.174 20 0 BBADMN C[C@H](CN1CCOCC1)C(=O)N[C@@H]1CCOC1 ZINC000346395473 354909502 /nfs/dbraw/zinc/90/95/02/354909502.db2.gz KGKVHTMWSTVYHB-GHMZBOCLSA-N 0 1 242.319 -0.140 20 0 BBADMN C[C@H](CN1CCOCC1)C(=O)N[C@H]1CCOC1 ZINC000346395474 135922772 /nfs/dbraw/zinc/92/27/72/135922772.db2.gz KGKVHTMWSTVYHB-MNOVXSKESA-N 0 1 242.319 -0.140 20 0 BBADMN C[C@@H](CN1CCOCC1)C(=O)N[C@H]1CCOC1 ZINC000346395475 354909445 /nfs/dbraw/zinc/90/94/45/354909445.db2.gz KGKVHTMWSTVYHB-QWRGUYRKSA-N 0 1 242.319 -0.140 20 0 BBADMN C[C@@H](CN1CCOCC1)C(=O)N[C@@H]1CCOC1 ZINC000346395476 354909465 /nfs/dbraw/zinc/90/94/65/354909465.db2.gz KGKVHTMWSTVYHB-WDEREUQCSA-N 0 1 242.319 -0.140 20 0 BBADMN COC(C)(C)CCN1CCN(C(=O)CO)CC1 ZINC000346412256 354916222 /nfs/dbraw/zinc/91/62/22/354916222.db2.gz LQEGWIMBTDPJBN-UHFFFAOYSA-N 0 1 244.335 -0.062 20 0 BBADMN CCO[C@H](C)C(=O)NC[C@@H]1CN(C)CCN1C ZINC000346412740 354916103 /nfs/dbraw/zinc/91/61/03/354916103.db2.gz BWESBYZWVCZCSK-GHMZBOCLSA-N 0 1 243.351 -0.227 20 0 BBADMN CCO[C@H](C)C(=O)NC[C@H]1CN(C)CCN1C ZINC000346412741 354916355 /nfs/dbraw/zinc/91/63/55/354916355.db2.gz BWESBYZWVCZCSK-MNOVXSKESA-N 0 1 243.351 -0.227 20 0 BBADMN CCO[C@@H](C)C(=O)NC[C@H]1CN(C)CCN1C ZINC000346412743 354916065 /nfs/dbraw/zinc/91/60/65/354916065.db2.gz BWESBYZWVCZCSK-QWRGUYRKSA-N 0 1 243.351 -0.227 20 0 BBADMN CCO[C@@H](C)C(=O)NC[C@@H]1CN(C)CCN1C ZINC000346412746 354916134 /nfs/dbraw/zinc/91/61/34/354916134.db2.gz BWESBYZWVCZCSK-WDEREUQCSA-N 0 1 243.351 -0.227 20 0 BBADMN Cc1n[nH]c(SCC(=O)NCCC(N)=O)n1 ZINC000346449966 354945103 /nfs/dbraw/zinc/94/51/03/354945103.db2.gz VTMAAKFZNWKDKF-UHFFFAOYSA-N 0 1 243.292 -0.803 20 0 BBADMN Cc1nnc(SCC(=O)NCCC(N)=O)[nH]1 ZINC000346449966 354945100 /nfs/dbraw/zinc/94/51/00/354945100.db2.gz VTMAAKFZNWKDKF-UHFFFAOYSA-N 0 1 243.292 -0.803 20 0 BBADMN CCNC(=O)CCN1CCN2C(=O)CC[C@H]2C1 ZINC000346452992 354946699 /nfs/dbraw/zinc/94/66/99/354946699.db2.gz KVUKENULPANDOO-JTQLQIEISA-N 0 1 239.319 -0.181 20 0 BBADMN CCNC(=O)CCN1CCN2C(=O)CC[C@@H]2C1 ZINC000346452993 354946757 /nfs/dbraw/zinc/94/67/57/354946757.db2.gz KVUKENULPANDOO-SNVBAGLBSA-N 0 1 239.319 -0.181 20 0 BBADMN CNC(=O)N1CCN(CC2(C)COC2)CC1 ZINC000346462498 354952996 /nfs/dbraw/zinc/95/29/96/354952996.db2.gz RBJBVIBUFSADQF-UHFFFAOYSA-N 0 1 227.308 -0.020 20 0 BBADMN CNC(=O)N1CCN(CCCOC)CC1 ZINC000346465558 354954361 /nfs/dbraw/zinc/95/43/61/354954361.db2.gz HLXZPWAKYSSXNM-UHFFFAOYSA-N 0 1 215.297 -0.020 20 0 BBADMN CC(=O)NCCCN1CCN2C(=O)CC[C@@H]2C1 ZINC000346488338 354958717 /nfs/dbraw/zinc/95/87/17/354958717.db2.gz NSDJWEGQTHHUKI-LLVKDONJSA-N 0 1 239.319 -0.181 20 0 BBADMN CC(=O)NCCCN1CCN2C(=O)CC[C@H]2C1 ZINC000346488355 354958457 /nfs/dbraw/zinc/95/84/57/354958457.db2.gz NSDJWEGQTHHUKI-NSHDSACASA-N 0 1 239.319 -0.181 20 0 BBADMN Cc1cc(CC(=O)NC(C)(CO)CO)[nH]n1 ZINC000346491848 354959654 /nfs/dbraw/zinc/95/96/54/354959654.db2.gz RKVKNUZGNFEBCH-UHFFFAOYSA-N 0 1 227.264 -0.880 20 0 BBADMN CNC(=O)CCN1CCN2C(=O)CC[C@@H]2C1 ZINC000346496373 354960371 /nfs/dbraw/zinc/96/03/71/354960371.db2.gz ULDJUIWNTVBJDA-SECBINFHSA-N 0 1 225.292 -0.571 20 0 BBADMN CNC(=O)CCN1CCN2C(=O)CC[C@H]2C1 ZINC000346496374 354960454 /nfs/dbraw/zinc/96/04/54/354960454.db2.gz ULDJUIWNTVBJDA-VIFPVBQESA-N 0 1 225.292 -0.571 20 0 BBADMN OC[C@@H]1C[C@H](O)CN1C[C@H](O)CC(F)(F)F ZINC000346513111 357074485 /nfs/dbraw/zinc/07/44/85/357074485.db2.gz AEHOUHKWLHBHHN-BIIVOSGPSA-N 0 1 243.225 -0.273 20 0 BBADMN OC[C@@H]1C[C@H](O)CN1C[C@@H](O)CC(F)(F)F ZINC000346513121 357074753 /nfs/dbraw/zinc/07/47/53/357074753.db2.gz AEHOUHKWLHBHHN-FXQIFTODSA-N 0 1 243.225 -0.273 20 0 BBADMN OC[C@@H]1C[C@@H](O)CN1C[C@@H](O)CC(F)(F)F ZINC000346513132 357074343 /nfs/dbraw/zinc/07/43/43/357074343.db2.gz AEHOUHKWLHBHHN-RNJXMRFFSA-N 0 1 243.225 -0.273 20 0 BBADMN OC[C@@H]1C[C@@H](O)CN1C[C@H](O)CC(F)(F)F ZINC000346513148 357074589 /nfs/dbraw/zinc/07/45/89/357074589.db2.gz AEHOUHKWLHBHHN-XLPZGREQSA-N 0 1 243.225 -0.273 20 0 BBADMN CNC(=O)NCCC(=O)NCc1cn[nH]c1C ZINC000346543090 354982530 /nfs/dbraw/zinc/98/25/30/354982530.db2.gz CFKNWHKNKADYKI-UHFFFAOYSA-N 0 1 239.279 -0.347 20 0 BBADMN COC(=O)[C@@H]1CCN([C@@H](C)C(N)=O)[C@H]1C ZINC000346606817 354991955 /nfs/dbraw/zinc/99/19/55/354991955.db2.gz CBDPGPAUMASSHG-BIIVOSGPSA-N 0 1 214.265 -0.256 20 0 BBADMN COC(=O)[C@@H]1CCN([C@H](C)C(N)=O)[C@@H]1C ZINC000346606819 354991735 /nfs/dbraw/zinc/99/17/35/354991735.db2.gz CBDPGPAUMASSHG-BWZBUEFSSA-N 0 1 214.265 -0.256 20 0 BBADMN COC(=O)[C@@H]1CCN([C@@H](C)C(N)=O)[C@@H]1C ZINC000346606823 354991768 /nfs/dbraw/zinc/99/17/68/354991768.db2.gz CBDPGPAUMASSHG-GJMOJQLCSA-N 0 1 214.265 -0.256 20 0 BBADMN COC(=O)[C@@H]1CCN([C@H](C)C(N)=O)[C@H]1C ZINC000346606825 354991785 /nfs/dbraw/zinc/99/17/85/354991785.db2.gz CBDPGPAUMASSHG-XLPZGREQSA-N 0 1 214.265 -0.256 20 0 BBADMN CNC(=O)CN1CC[C@@H](C(=O)OC)[C@H]1C ZINC000346642417 355016061 /nfs/dbraw/zinc/01/60/61/355016061.db2.gz CFXRYROMZUMREX-HTQZYQBOSA-N 0 1 214.265 -0.384 20 0 BBADMN CNC(=O)CN1CC[C@@H](C(=O)OC)[C@@H]1C ZINC000346642451 355016290 /nfs/dbraw/zinc/01/62/90/355016290.db2.gz CFXRYROMZUMREX-JGVFFNPUSA-N 0 1 214.265 -0.384 20 0 BBADMN CNC(=O)CN1CC[C@H](C(=O)OC)[C@H]1C ZINC000346642456 355016397 /nfs/dbraw/zinc/01/63/97/355016397.db2.gz CFXRYROMZUMREX-SFYZADRCSA-N 0 1 214.265 -0.384 20 0 BBADMN CNC(=O)CN1CC[C@H](C(=O)OC)[C@@H]1C ZINC000346642460 355016276 /nfs/dbraw/zinc/01/62/76/355016276.db2.gz CFXRYROMZUMREX-YUMQZZPRSA-N 0 1 214.265 -0.384 20 0 BBADMN COC(=O)[C@H]1CC[N@@H+](Cc2n[nH]c(=O)[n-]2)[C@H]1C ZINC000346646853 355017993 /nfs/dbraw/zinc/01/79/93/355017993.db2.gz NDMZUCANNGOKLM-BQBZGAKWSA-N 0 1 240.263 -0.106 20 0 BBADMN COC(=O)[C@H]1CC[N@H+](Cc2n[nH]c(=O)[n-]2)[C@H]1C ZINC000346646853 355017990 /nfs/dbraw/zinc/01/79/90/355017990.db2.gz NDMZUCANNGOKLM-BQBZGAKWSA-N 0 1 240.263 -0.106 20 0 BBADMN COC(=O)[C@@H]1CC[N@@H+](Cc2n[nH]c(=O)[n-]2)[C@H]1C ZINC000346646854 355017811 /nfs/dbraw/zinc/01/78/11/355017811.db2.gz NDMZUCANNGOKLM-NKWVEPMBSA-N 0 1 240.263 -0.106 20 0 BBADMN COC(=O)[C@@H]1CC[N@H+](Cc2n[nH]c(=O)[n-]2)[C@H]1C ZINC000346646854 355017807 /nfs/dbraw/zinc/01/78/07/355017807.db2.gz NDMZUCANNGOKLM-NKWVEPMBSA-N 0 1 240.263 -0.106 20 0 BBADMN COC(=O)[C@@H]1CC[N@@H+](Cc2n[nH]c(=O)[n-]2)[C@@H]1C ZINC000346646855 355017717 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CNS(=O)(=O)CCN1CCC(C)(O)CC1 ZINC000621262812 370196187 /nfs/dbraw/zinc/19/61/87/370196187.db2.gz QNBNNEQCQXUXAE-UHFFFAOYSA-N 0 1 236.337 -0.618 20 0 BBADMN CNS(=O)(=O)CCN1CCc2cn[nH]c2C1 ZINC000621269503 350301775 /nfs/dbraw/zinc/30/17/75/350301775.db2.gz WZAUQWGBSCCYFT-UHFFFAOYSA-N 0 1 244.320 -0.683 20 0 BBADMN CNS(=O)(=O)CCN(C)[C@@H]1CCSC1 ZINC000621269788 350311467 /nfs/dbraw/zinc/31/14/67/350311467.db2.gz DBCPKQAIHLNNHG-MRVPVSSYSA-N 0 1 238.378 -0.027 20 0 BBADMN CNS(=O)(=O)CCN(C)[C@H]1CCSC1 ZINC000621269789 350311458 /nfs/dbraw/zinc/31/14/58/350311458.db2.gz DBCPKQAIHLNNHG-QMMMGPOBSA-N 0 1 238.378 -0.027 20 0 BBADMN CCN1CCN(CCS(=O)(=O)NC)C[C@@H]1C ZINC000621270183 370201660 /nfs/dbraw/zinc/20/16/60/370201660.db2.gz RMYQBRLJHZWNNL-JTQLQIEISA-N 0 1 249.380 -0.438 20 0 BBADMN CCN1CCN(CCS(=O)(=O)NC)C[C@H]1C ZINC000621270184 370201806 /nfs/dbraw/zinc/20/18/06/370201806.db2.gz RMYQBRLJHZWNNL-SNVBAGLBSA-N 0 1 249.380 -0.438 20 0 BBADMN CNS(=O)(=O)CCN1CCCSCC1 ZINC000621270727 370201541 /nfs/dbraw/zinc/20/15/41/370201541.db2.gz JQQCTANUZMBZBK-UHFFFAOYSA-N 0 1 238.378 -0.026 20 0 BBADMN CNS(=O)(=O)CCN1CCC[C@@](C)(O)C1 ZINC000621271496 370202215 /nfs/dbraw/zinc/20/22/15/370202215.db2.gz JVXLIKBLFLARFT-SECBINFHSA-N 0 1 236.337 -0.618 20 0 BBADMN CNS(=O)(=O)CCN1CCC[C@](C)(O)C1 ZINC000621271497 370202516 /nfs/dbraw/zinc/20/25/16/370202516.db2.gz JVXLIKBLFLARFT-VIFPVBQESA-N 0 1 236.337 -0.618 20 0 BBADMN CNS(=O)(=O)CCN1CCN(C)CC1(C)C ZINC000621271532 370203128 /nfs/dbraw/zinc/20/31/28/370203128.db2.gz KWKGNQMCOBGSEP-UHFFFAOYSA-N 0 1 249.380 -0.438 20 0 BBADMN CC[C@@H]1CN(CCS(=O)(=O)NC)C[C@@H]1O ZINC000621271683 370203066 /nfs/dbraw/zinc/20/30/66/370203066.db2.gz QDVKBXWMRIWSPN-BDAKNGLRSA-N 0 1 236.337 -0.762 20 0 BBADMN CC[C@H]1CN(CCS(=O)(=O)NC)C[C@H]1O ZINC000621271684 370203223 /nfs/dbraw/zinc/20/32/23/370203223.db2.gz QDVKBXWMRIWSPN-DTWKUNHWSA-N 0 1 236.337 -0.762 20 0 BBADMN CC[C@H]1CN(CCS(=O)(=O)NC)C[C@@H]1O ZINC000621271685 370202135 /nfs/dbraw/zinc/20/21/35/370202135.db2.gz QDVKBXWMRIWSPN-IUCAKERBSA-N 0 1 236.337 -0.762 20 0 BBADMN CC[C@@H]1CN(CCS(=O)(=O)NC)C[C@H]1O ZINC000621271686 370202751 /nfs/dbraw/zinc/20/27/51/370202751.db2.gz QDVKBXWMRIWSPN-RKDXNWHRSA-N 0 1 236.337 -0.762 20 0 BBADMN CNS(=O)(=O)CCN1C[C@@H](C)N(C)C[C@H]1C ZINC000621272060 370204508 /nfs/dbraw/zinc/20/45/08/370204508.db2.gz BJJRWKUJWSAISR-NXEZZACHSA-N 0 1 249.380 -0.440 20 0 BBADMN CNS(=O)(=O)CCN1C[C@H](C)N(C)C[C@@H]1C ZINC000621272061 370204473 /nfs/dbraw/zinc/20/44/73/370204473.db2.gz BJJRWKUJWSAISR-UWVGGRQHSA-N 0 1 249.380 -0.440 20 0 BBADMN CNS(=O)(=O)CCN1C[C@H](C)N(C)C[C@H]1C ZINC000621272062 370204229 /nfs/dbraw/zinc/20/42/29/370204229.db2.gz BJJRWKUJWSAISR-VHSXEESVSA-N 0 1 249.380 -0.440 20 0 BBADMN CNS(=O)(=O)CCN1C[C@@H](C)N(C)C[C@@H]1C ZINC000621272063 370203589 /nfs/dbraw/zinc/20/35/89/370203589.db2.gz BJJRWKUJWSAISR-ZJUUUORDSA-N 0 1 249.380 -0.440 20 0 BBADMN CNS(=O)(=O)CCN1CCN(C)[C@H](C)[C@H]1C ZINC000621272189 370204322 /nfs/dbraw/zinc/20/43/22/370204322.db2.gz GQIZNZMVXDIDQO-NXEZZACHSA-N 0 1 249.380 -0.440 20 0 BBADMN CNS(=O)(=O)CCN1CCN(C)[C@@H](C)[C@@H]1C ZINC000621272190 370201781 /nfs/dbraw/zinc/20/17/81/370201781.db2.gz GQIZNZMVXDIDQO-UWVGGRQHSA-N 0 1 249.380 -0.440 20 0 BBADMN CNS(=O)(=O)CCN1CCN(C)[C@@H](C)[C@H]1C ZINC000621272191 370200787 /nfs/dbraw/zinc/20/07/87/370200787.db2.gz GQIZNZMVXDIDQO-VHSXEESVSA-N 0 1 249.380 -0.440 20 0 BBADMN CNS(=O)(=O)CCN1CCN(C)[C@H](C)[C@@H]1C ZINC000621272192 370201399 /nfs/dbraw/zinc/20/13/99/370201399.db2.gz GQIZNZMVXDIDQO-ZJUUUORDSA-N 0 1 249.380 -0.440 20 0 BBADMN CNS(=O)(=O)CCN(C)CC1(O)CCC1 ZINC000621279540 370210930 /nfs/dbraw/zinc/21/09/30/370210930.db2.gz XCHDLQQBXNMNLA-UHFFFAOYSA-N 0 1 236.337 -0.618 20 0 BBADMN CNS(=O)(=O)CCN1CC[C@H](O)[C@H](C)C1 ZINC000621280881 370211763 /nfs/dbraw/zinc/21/17/63/370211763.db2.gz IICFBUGFPCTCCI-BDAKNGLRSA-N 0 1 236.337 -0.762 20 0 BBADMN CNS(=O)(=O)CCN1CC[C@@H](O)[C@@H](C)C1 ZINC000621280882 370212284 /nfs/dbraw/zinc/21/22/84/370212284.db2.gz IICFBUGFPCTCCI-DTWKUNHWSA-N 0 1 236.337 -0.762 20 0 BBADMN CNS(=O)(=O)CCN1CC[C@H](O)[C@@H](C)C1 ZINC000621280883 370211703 /nfs/dbraw/zinc/21/17/03/370211703.db2.gz IICFBUGFPCTCCI-IUCAKERBSA-N 0 1 236.337 -0.762 20 0 BBADMN CNS(=O)(=O)CCN1CC[C@@H](O)[C@H](C)C1 ZINC000621280884 370211735 /nfs/dbraw/zinc/21/17/35/370211735.db2.gz IICFBUGFPCTCCI-RKDXNWHRSA-N 0 1 236.337 -0.762 20 0 BBADMN CC[C@@]1(O)CCN(CCS(=O)(=O)NC)C1 ZINC000621281565 370213110 /nfs/dbraw/zinc/21/31/10/370213110.db2.gz AOGNYQJXATXMOM-SECBINFHSA-N 0 1 236.337 -0.618 20 0 BBADMN CC[C@]1(O)CCN(CCS(=O)(=O)NC)C1 ZINC000621281566 370213293 /nfs/dbraw/zinc/21/32/93/370213293.db2.gz AOGNYQJXATXMOM-VIFPVBQESA-N 0 1 236.337 -0.618 20 0 BBADMN CNS(=O)(=O)CCN(CCO)C1CCC1 ZINC000621284205 370213622 /nfs/dbraw/zinc/21/36/22/370213622.db2.gz LPYHEBBZKIEGFC-UHFFFAOYSA-N 0 1 236.337 -0.618 20 0 BBADMN CNS(=O)(=O)CCN(C)CCCCO ZINC000621285541 370215144 /nfs/dbraw/zinc/21/51/44/370215144.db2.gz AUUPRQWBTILRNH-UHFFFAOYSA-N 0 1 224.326 -0.760 20 0 BBADMN CNS(=O)(=O)CCN1CCC12CCOCC2 ZINC000621287225 370216014 /nfs/dbraw/zinc/21/60/14/370216014.db2.gz HGPUEBSGTMQSEX-UHFFFAOYSA-N 0 1 248.348 -0.210 20 0 BBADMN CNS(=O)(=O)CCN1C[C@@H](O)C(C)(C)C1 ZINC000621287825 370215801 /nfs/dbraw/zinc/21/58/01/370215801.db2.gz BMYJDIYOKXEFLX-MRVPVSSYSA-N 0 1 236.337 -0.762 20 0 BBADMN CNS(=O)(=O)CCN1C[C@H](O)C(C)(C)C1 ZINC000621287826 370215004 /nfs/dbraw/zinc/21/50/04/370215004.db2.gz BMYJDIYOKXEFLX-QMMMGPOBSA-N 0 1 236.337 -0.762 20 0 BBADMN CNS(=O)(=O)CCN(C)CCCCCO ZINC000621287863 370215984 /nfs/dbraw/zinc/21/59/84/370215984.db2.gz DEOZTQASJHHWDS-UHFFFAOYSA-N 0 1 238.353 -0.370 20 0 BBADMN CNS(=O)(=O)CCN1CCN(C)C(C)(C)C1 ZINC000621289397 370217719 /nfs/dbraw/zinc/21/77/19/370217719.db2.gz FHTOVAFKQFFKGX-UHFFFAOYSA-N 0 1 249.380 -0.438 20 0 BBADMN CCN1CCN(CCS(=O)(=O)NC)[C@@H](C)C1 ZINC000621294696 370221028 /nfs/dbraw/zinc/22/10/28/370221028.db2.gz JRTXREJNPUHMRN-JTQLQIEISA-N 0 1 249.380 -0.438 20 0 BBADMN CCN1CCN(CCS(=O)(=O)NC)[C@H](C)C1 ZINC000621294697 370220151 /nfs/dbraw/zinc/22/01/51/370220151.db2.gz JRTXREJNPUHMRN-SNVBAGLBSA-N 0 1 249.380 -0.438 20 0 BBADMN CNS(=O)(=O)CCN(C)[C@H]1C[C@@H](OC)C1 ZINC000621295018 370220920 /nfs/dbraw/zinc/22/09/20/370220920.db2.gz WDDDRIRSSQRXNZ-DTORHVGOSA-N 0 1 236.337 -0.355 20 0 BBADMN CCn1nncc1CN1CC[C@H](CC(N)=O)C1 ZINC000621295689 370222177 /nfs/dbraw/zinc/22/21/77/370222177.db2.gz UAUSLNVWBNVEDP-SECBINFHSA-N 0 1 237.307 -0.005 20 0 BBADMN CCn1nncc1CN1CC[C@@H](CC(N)=O)C1 ZINC000621295690 370222402 /nfs/dbraw/zinc/22/24/02/370222402.db2.gz UAUSLNVWBNVEDP-VIFPVBQESA-N 0 1 237.307 -0.005 20 0 BBADMN CC[C@@H](C)N(CCO)CCS(=O)(=O)NC ZINC000621295854 370222615 /nfs/dbraw/zinc/22/26/15/370222615.db2.gz ZXZJVUHTOPPZFL-SECBINFHSA-N 0 1 238.353 -0.372 20 0 BBADMN CC[C@H](C)N(CCO)CCS(=O)(=O)NC ZINC000621295855 370216358 /nfs/dbraw/zinc/21/63/58/370216358.db2.gz ZXZJVUHTOPPZFL-VIFPVBQESA-N 0 1 238.353 -0.372 20 0 BBADMN CNS(=O)(=O)CCN(C)C(C)(C)COC ZINC000621297140 370224738 /nfs/dbraw/zinc/22/47/38/370224738.db2.gz CKNSDURLMDDLOS-UHFFFAOYSA-N 0 1 238.353 -0.108 20 0 BBADMN CCN(CCS(=O)(=O)NC)[C@H](C)CO ZINC000621297200 370225187 /nfs/dbraw/zinc/22/51/87/370225187.db2.gz FMSVFLOOBGQFED-MRVPVSSYSA-N 0 1 224.326 -0.762 20 0 BBADMN CNS(=O)(=O)CCN(C)C1(CO)CCC1 ZINC000621297440 370224775 /nfs/dbraw/zinc/22/47/75/370224775.db2.gz NKSNFKMPXCMVLP-UHFFFAOYSA-N 0 1 236.337 -0.618 20 0 BBADMN CCN(CCS(=O)(=O)NC)C[C@@H](C)OC ZINC000621297653 370224784 /nfs/dbraw/zinc/22/47/84/370224784.db2.gz WJVOYOCXHGAWNG-SECBINFHSA-N 0 1 238.353 -0.108 20 0 BBADMN CCN(CCS(=O)(=O)NC)C[C@H](C)OC ZINC000621297654 370223673 /nfs/dbraw/zinc/22/36/73/370223673.db2.gz WJVOYOCXHGAWNG-VIFPVBQESA-N 0 1 238.353 -0.108 20 0 BBADMN CNS(=O)(=O)CCN1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000621297879 370226506 /nfs/dbraw/zinc/22/65/06/370226506.db2.gz BORCXFUHADYLRO-AOOOYVTPSA-N 0 1 249.380 -0.440 20 0 BBADMN CNS(=O)(=O)CCN1C[C@@H](C)[C@H]1C ZINC000621297973 370226344 /nfs/dbraw/zinc/22/63/44/370226344.db2.gz FGLDATUATWZJCB-HTQZYQBOSA-N 0 1 206.311 -0.124 20 0 BBADMN CNS(=O)(=O)CCN1C[C@H](C)[C@H]1C ZINC000621297974 370226528 /nfs/dbraw/zinc/22/65/28/370226528.db2.gz FGLDATUATWZJCB-JGVFFNPUSA-N 0 1 206.311 -0.124 20 0 BBADMN CNS(=O)(=O)CCN1C[C@@H](C)[C@@H]1C ZINC000621297975 370226257 /nfs/dbraw/zinc/22/62/57/370226257.db2.gz FGLDATUATWZJCB-SFYZADRCSA-N 0 1 206.311 -0.124 20 0 BBADMN CNS(=O)(=O)CCN1C[C@H](C)[C@@H]1C ZINC000621297976 370226093 /nfs/dbraw/zinc/22/60/93/370226093.db2.gz FGLDATUATWZJCB-YUMQZZPRSA-N 0 1 206.311 -0.124 20 0 BBADMN CCN(CCS(=O)(=O)NC)[C@@H](C)CO ZINC000621297990 370225907 /nfs/dbraw/zinc/22/59/07/370225907.db2.gz FMSVFLOOBGQFED-QMMMGPOBSA-N 0 1 224.326 -0.762 20 0 BBADMN CNS(=O)(=O)CCN1CCC[C@@H](O)CC1 ZINC000621298031 370226246 /nfs/dbraw/zinc/22/62/46/370226246.db2.gz GVSXJDUYHGREKP-SECBINFHSA-N 0 1 236.337 -0.618 20 0 BBADMN CNS(=O)(=O)CCN1CCC[C@H](O)CC1 ZINC000621298032 370226108 /nfs/dbraw/zinc/22/61/08/370226108.db2.gz GVSXJDUYHGREKP-VIFPVBQESA-N 0 1 236.337 -0.618 20 0 BBADMN CC[C@H]1CN(C)CCN1CCS(=O)(=O)NC ZINC000621298249 370226402 /nfs/dbraw/zinc/22/64/02/370226402.db2.gz OVYNOQZSJOADNP-JTQLQIEISA-N 0 1 249.380 -0.438 20 0 BBADMN CC[C@@H]1CN(C)CCN1CCS(=O)(=O)NC ZINC000621298250 370225858 /nfs/dbraw/zinc/22/58/58/370225858.db2.gz OVYNOQZSJOADNP-SNVBAGLBSA-N 0 1 249.380 -0.438 20 0 BBADMN CNS(=O)(=O)CCN(C)CC(C)(C)CO ZINC000621298652 370227589 /nfs/dbraw/zinc/22/75/89/370227589.db2.gz FBIXTAKPGQTRPU-UHFFFAOYSA-N 0 1 238.353 -0.514 20 0 BBADMN CNS(=O)(=O)CCN1CCC[C@H](O)[C@@H]1C ZINC000621298746 370227406 /nfs/dbraw/zinc/22/74/06/370227406.db2.gz IJYPZTGVNWNBCA-IUCAKERBSA-N 0 1 236.337 -0.619 20 0 BBADMN CNS(=O)(=O)CCN1CCC[C@@H](O)[C@H]1C ZINC000621298747 370228144 /nfs/dbraw/zinc/22/81/44/370228144.db2.gz IJYPZTGVNWNBCA-RKDXNWHRSA-N 0 1 236.337 -0.619 20 0 BBADMN CNS(=O)(=O)CCN(C)[C@H](C)C(C)(C)O ZINC000621298811 370227986 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245.323 -0.634 20 0 BBADMN O=C(CNC(=O)C1(O)CNC1)Nc1ccccc1 ZINC000662514493 566270199 /nfs/dbraw/zinc/27/01/99/566270199.db2.gz LKEHOZBZCPSDOK-UHFFFAOYSA-N 0 1 249.270 -0.924 20 0 BBADMN CO[C@@H](C(=O)N1CCN[C@H](C)C1)[C@@H]1CCOC1 ZINC000662515248 412201630 /nfs/dbraw/zinc/20/16/30/412201630.db2.gz JINKCCKIRUCFAS-GMTAPVOTSA-N 0 1 242.319 -0.142 20 0 BBADMN CO[C@@H](C(=O)N1CCN[C@H](C)C1)[C@H]1CCOC1 ZINC000662515250 412201985 /nfs/dbraw/zinc/20/19/85/412201985.db2.gz JINKCCKIRUCFAS-OUAUKWLOSA-N 0 1 242.319 -0.142 20 0 BBADMN Cc1nn(C)cc1[C@@H](C)NC(=O)C1(O)CNC1 ZINC000662518019 412202941 /nfs/dbraw/zinc/20/29/41/412202941.db2.gz OZHNXXJUDFIZIV-SSDOTTSWSA-N 0 1 238.291 -0.760 20 0 BBADMN Cc1nn(C)cc1[C@H](C)NC(=O)C1(O)CNC1 ZINC000662518021 412202349 /nfs/dbraw/zinc/20/23/49/412202349.db2.gz OZHNXXJUDFIZIV-ZETCQYMHSA-N 0 1 238.291 -0.760 20 0 BBADMN CCCCOCCNC(=O)C1(O)CNC1 ZINC000662518112 412202580 /nfs/dbraw/zinc/20/25/80/412202580.db2.gz QJKDFBZIPDNVBA-UHFFFAOYSA-N 0 1 216.281 -0.746 20 0 BBADMN CC(C)CCOCCNC(=O)C1(O)CNC1 ZINC000662518145 412202588 /nfs/dbraw/zinc/20/25/88/412202588.db2.gz QXONWDMSGLJPED-UHFFFAOYSA-N 0 1 230.308 -0.500 20 0 BBADMN CO[C@@H](C(=O)N1CCN[C@@H](C)C1)[C@H]1CCOC1 ZINC000662518723 412202962 /nfs/dbraw/zinc/20/29/62/412202962.db2.gz JINKCCKIRUCFAS-GARJFASQSA-N 0 1 242.319 -0.142 20 0 BBADMN CO[C@@H](C(=O)N1CCN[C@@H](C)C1)[C@@H]1CCOC1 ZINC000662518724 412202927 /nfs/dbraw/zinc/20/29/27/412202927.db2.gz JINKCCKIRUCFAS-HBNTYKKESA-N 0 1 242.319 -0.142 20 0 BBADMN CN(CC(C)(C)C)C(=O)C1(O)CNC1 ZINC000662520318 412203131 /nfs/dbraw/zinc/20/31/31/412203131.db2.gz IGVNISWQKBXLCC-UHFFFAOYSA-N 0 1 200.282 -0.175 20 0 BBADMN O=C(NC[C@H]1CCCCO1)C1(O)CNC1 ZINC000662521620 412199216 /nfs/dbraw/zinc/19/92/16/412199216.db2.gz MLAJYSSNKLQTTN-MRVPVSSYSA-N 0 1 214.265 -0.994 20 0 BBADMN O=C(NC[C@@H]1CCCCO1)C1(O)CNC1 ZINC000662521621 412198916 /nfs/dbraw/zinc/19/89/16/412198916.db2.gz MLAJYSSNKLQTTN-QMMMGPOBSA-N 0 1 214.265 -0.994 20 0 BBADMN O=C(N1CCOc2ccccc2C1)C1(O)CNC1 ZINC000662522084 412203618 /nfs/dbraw/zinc/20/36/18/412203618.db2.gz JSJKSZPVPZVLEG-UHFFFAOYSA-N 0 1 248.282 -0.258 20 0 BBADMN CCC1CCN(C(=O)C2(O)CNC2)CC1 ZINC000662522433 412204152 /nfs/dbraw/zinc/20/41/52/412204152.db2.gz YKBIXFZSJYQAOY-UHFFFAOYSA-N 0 1 212.293 -0.031 20 0 BBADMN O=C(NCc1ccccc1CO)C1(O)CNC1 ZINC000662523359 409747035 /nfs/dbraw/zinc/74/70/35/409747035.db2.gz ABCWCMPCRYKBLQ-UHFFFAOYSA-N 0 1 236.271 -0.871 20 0 BBADMN CC(C)OC[C@H](N)C(=O)NCCn1ccnc1 ZINC000662523931 412204531 /nfs/dbraw/zinc/20/45/31/412204531.db2.gz HADOXEYKDZYIQK-JTQLQIEISA-N 0 1 240.307 -0.248 20 0 BBADMN CCN1CCN(C(=O)[C@@H](N)COC(C)C)CC1 ZINC000662523945 412204310 /nfs/dbraw/zinc/20/43/10/412204310.db2.gz RRQZREGIZIXTBX-NSHDSACASA-N 0 1 243.351 -0.097 20 0 BBADMN CC(C)OC[C@H](N)C(=O)N1CCN(C)CC1 ZINC000662524424 412203653 /nfs/dbraw/zinc/20/36/53/412203653.db2.gz VNDKVOQWCXVOSN-JTQLQIEISA-N 0 1 229.324 -0.487 20 0 BBADMN CC[C@@H](C)[C@@H](C)NC(=O)C1(O)CNC1 ZINC000662525480 412204003 /nfs/dbraw/zinc/20/40/03/412204003.db2.gz WGAGYHZRVFZYLO-HTQZYQBOSA-N 0 1 200.282 -0.129 20 0 BBADMN CC[C@H](C)[C@@H](C)NC(=O)C1(O)CNC1 ZINC000662525481 412203727 /nfs/dbraw/zinc/20/37/27/412203727.db2.gz WGAGYHZRVFZYLO-JGVFFNPUSA-N 0 1 200.282 -0.129 20 0 BBADMN CC[C@@H](C)[C@H](C)NC(=O)C1(O)CNC1 ZINC000662525482 412204350 /nfs/dbraw/zinc/20/43/50/412204350.db2.gz WGAGYHZRVFZYLO-SFYZADRCSA-N 0 1 200.282 -0.129 20 0 BBADMN CC[C@H](C)[C@H](C)NC(=O)C1(O)CNC1 ZINC000662525683 412203937 /nfs/dbraw/zinc/20/39/37/412203937.db2.gz WGAGYHZRVFZYLO-YUMQZZPRSA-N 0 1 200.282 -0.129 20 0 BBADMN CC(C)OC1CCN(C(=O)C2(O)CNC2)CC1 ZINC000662525831 412205570 /nfs/dbraw/zinc/20/55/70/412205570.db2.gz YKHVIHGXBJOODM-UHFFFAOYSA-N 0 1 242.319 -0.263 20 0 BBADMN Cc1cccc(CCNC(=O)C2(O)CNC2)c1 ZINC000662526008 409747374 /nfs/dbraw/zinc/74/73/74/409747374.db2.gz OBQKJYCUSTVFBJ-UHFFFAOYSA-N 0 1 234.299 -0.012 20 0 BBADMN CN(C[C@H]1CCCCO1)C(=O)C1(O)CNC1 ZINC000662526497 412206118 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/nfs/dbraw/zinc/20/97/86/412209786.db2.gz LMYIAIKFWVKQFM-YUMQZZPRSA-N 0 1 230.333 -0.327 20 0 BBADMN CCc1cnc(NC(=O)C2(O)CNC2)s1 ZINC000662539970 412210244 /nfs/dbraw/zinc/21/02/44/412210244.db2.gz PWMKCXOYEZAANE-UHFFFAOYSA-N 0 1 227.289 -0.022 20 0 BBADMN COCCCCCNC(=O)C1(O)CNC1 ZINC000662542702 412209775 /nfs/dbraw/zinc/20/97/75/412209775.db2.gz QAKDVWBQOSUSPS-UHFFFAOYSA-N 0 1 216.281 -0.746 20 0 BBADMN C[C@@H]1CCCN(C(=O)C2(O)CNC2)CC1 ZINC000662543173 412210324 /nfs/dbraw/zinc/21/03/24/412210324.db2.gz TVJSJRYFTQJNBX-SECBINFHSA-N 0 1 212.293 -0.031 20 0 BBADMN C[C@H]1CCCN(C(=O)C2(O)CNC2)CC1 ZINC000662543177 412210443 /nfs/dbraw/zinc/21/04/43/412210443.db2.gz TVJSJRYFTQJNBX-VIFPVBQESA-N 0 1 212.293 -0.031 20 0 BBADMN O=C(NCC1CCSCC1)C1(O)CNC1 ZINC000662543713 412210471 /nfs/dbraw/zinc/21/04/71/412210471.db2.gz YDBFJUCFACKDRC-UHFFFAOYSA-N 0 1 230.333 -0.420 20 0 BBADMN CN(CC1CCCC1)C(=O)C1(O)CNC1 ZINC000662545570 412211710 /nfs/dbraw/zinc/21/17/10/412211710.db2.gz NTULHXQAUSVZJF-UHFFFAOYSA-N 0 1 212.293 -0.031 20 0 BBADMN O=C(NCCCOC1CCCC1)C1(O)CNC1 ZINC000662545754 412211273 /nfs/dbraw/zinc/21/12/73/412211273.db2.gz IXIWFXZXUCSLHX-UHFFFAOYSA-N 0 1 242.319 -0.214 20 0 BBADMN COc1ccc2c(c1)CCN2C(=O)C1(O)CNC1 ZINC000662548493 409750046 /nfs/dbraw/zinc/75/00/46/409750046.db2.gz GRVGWHWVQKCDEX-UHFFFAOYSA-N 0 1 248.282 -0.081 20 0 BBADMN CO[C@@H](C(=O)N1CCNC[C@@H]1C)[C@H]1CCOC1 ZINC000662550692 412212499 /nfs/dbraw/zinc/21/24/99/412212499.db2.gz JEGODJQEYGACPL-GARJFASQSA-N 0 1 242.319 -0.142 20 0 BBADMN CO[C@@H](C(=O)N1CCNC[C@H]1C)[C@@H]1CCOC1 ZINC000662550693 412212320 /nfs/dbraw/zinc/21/23/20/412212320.db2.gz JEGODJQEYGACPL-GMTAPVOTSA-N 0 1 242.319 -0.142 20 0 BBADMN CO[C@@H](C(=O)N1CCNC[C@@H]1C)[C@@H]1CCOC1 ZINC000662550694 412212568 /nfs/dbraw/zinc/21/25/68/412212568.db2.gz JEGODJQEYGACPL-HBNTYKKESA-N 0 1 242.319 -0.142 20 0 BBADMN CO[C@@H](C(=O)N1CCNC[C@H]1C)[C@H]1CCOC1 ZINC000662550695 412212652 /nfs/dbraw/zinc/21/26/52/412212652.db2.gz 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/nfs/dbraw/zinc/04/06/87/585040687.db2.gz UMRXWGXRSGXRRN-BDAKNGLRSA-N 0 1 245.275 -0.151 20 0 BBADMN COC[C@H](O)C[N@H+]1CCCN(C(=O)[O-])CC1 ZINC000738059759 585040567 /nfs/dbraw/zinc/04/05/67/585040567.db2.gz JYZWYGXBLRSJBF-SECBINFHSA-N 0 1 232.280 -0.321 20 0 BBADMN COC[C@@H](O)C[N@H+]1CCCN(C(=O)[O-])CC1 ZINC000738059764 585040760 /nfs/dbraw/zinc/04/07/60/585040760.db2.gz JYZWYGXBLRSJBF-VIFPVBQESA-N 0 1 232.280 -0.321 20 0 BBADMN COC[C@@H](O)C[N@H+]1CCC[C@@H](NC(=O)[O-])C1 ZINC000738060924 602690789 /nfs/dbraw/zinc/69/07/89/602690789.db2.gz WNYAYUDOLXEFNN-BDAKNGLRSA-N 0 1 232.280 -0.274 20 0 BBADMN COC[C@H](O)C[N@H+]1CCC[C@H](NC(=O)[O-])C1 ZINC000738060925 602690986 /nfs/dbraw/zinc/69/09/86/602690986.db2.gz WNYAYUDOLXEFNN-DTWKUNHWSA-N 0 1 232.280 -0.274 20 0 BBADMN COC[C@@H](O)C[N@H+]1CCC[C@H](NC(=O)[O-])C1 ZINC000738060926 602690921 /nfs/dbraw/zinc/69/09/21/602690921.db2.gz WNYAYUDOLXEFNN-IUCAKERBSA-N 0 1 232.280 -0.274 20 0 BBADMN COC[C@H](O)C[N@H+]1CCC[C@@H](NC(=O)[O-])C1 ZINC000738060927 602690902 /nfs/dbraw/zinc/69/09/02/602690902.db2.gz WNYAYUDOLXEFNN-RKDXNWHRSA-N 0 1 232.280 -0.274 20 0 BBADMN O=C(NCc1nn[nH]n1)C1=CCCCO1 ZINC000738122637 585041160 /nfs/dbraw/zinc/04/11/60/585041160.db2.gz GDEBGOCABPOQMS-UHFFFAOYSA-N 0 1 209.209 -0.490 20 0 BBADMN O=C(NCc1nn[nH]n1)c1ccc[nH]c1=S ZINC000738128709 585041064 /nfs/dbraw/zinc/04/10/64/585041064.db2.gz IQPRBCAKJCADOH-UHFFFAOYSA-N 0 1 236.260 -0.187 20 0 BBADMN O=C(NCc1nn[nH]n1)c1csc2cncn21 ZINC000738129053 585041174 /nfs/dbraw/zinc/04/11/74/585041174.db2.gz NTMPPZVKBXFRKU-UHFFFAOYSA-N 0 1 249.259 -0.161 20 0 BBADMN CS(=O)(=O)NCC[N@@H+](CC(=O)[O-])C1CC1 ZINC000738139299 585041339 /nfs/dbraw/zinc/04/13/39/585041339.db2.gz PQHPRPWLNUFQTB-UHFFFAOYSA-N 0 1 236.293 -0.915 20 0 BBADMN O=C(c1cc[nH]c1)N1CCO[C@@H](c2nn[nH]n2)C1 ZINC000738254785 585041946 /nfs/dbraw/zinc/04/19/46/585041946.db2.gz NHSNLDXPCSLCCT-MRVPVSSYSA-N 0 1 248.246 -0.259 20 0 BBADMN O=C(c1cc[nH]c1)N1CCO[C@H](c2nn[nH]n2)C1 ZINC000738254788 585042206 /nfs/dbraw/zinc/04/22/06/585042206.db2.gz NHSNLDXPCSLCCT-QMMMGPOBSA-N 0 1 248.246 -0.259 20 0 BBADMN Cc1[nH+]ccn1CC(=O)N(C)CC(=O)[O-] ZINC000738369504 712427667 /nfs/dbraw/zinc/42/76/67/712427667.db2.gz LAYLEVROHBQDCV-UHFFFAOYSA-N 0 1 211.221 -0.265 20 0 BBADMN CCNS(=O)(=O)NCc1cc(CC)[nH]n1 ZINC000738382823 585044203 /nfs/dbraw/zinc/04/42/03/585044203.db2.gz KROFKAFPDJKLQM-UHFFFAOYSA-N 0 1 232.309 -0.084 20 0 BBADMN CCc1cc(CNS(=O)(=O)N(C)C)n[nH]1 ZINC000738383235 583565695 /nfs/dbraw/zinc/56/56/95/583565695.db2.gz MXGYFQGOSFFXRW-UHFFFAOYSA-N 0 1 232.309 -0.132 20 0 BBADMN NC(=O)[C@H]1C[N@@H+](CCCCC(=O)[O-])CCO1 ZINC000738443133 597772529 /nfs/dbraw/zinc/77/25/29/597772529.db2.gz GVFOTYHRSPIDBD-MRVPVSSYSA-N 0 1 230.264 -0.573 20 0 BBADMN NC(=O)[C@@H]1C[N@@H+](CCCCC(=O)[O-])CCO1 ZINC000738443134 597772160 /nfs/dbraw/zinc/77/21/60/597772160.db2.gz GVFOTYHRSPIDBD-QMMMGPOBSA-N 0 1 230.264 -0.573 20 0 BBADMN NS(=O)(=O)CCC[N@@H+](CC(=O)[O-])C1CC1 ZINC000738444324 601464373 /nfs/dbraw/zinc/46/43/73/601464373.db2.gz FQVUMYYZEHYMFC-UHFFFAOYSA-N 0 1 236.293 -0.786 20 0 BBADMN CCc1cc(CNC(=O)NCC(=O)NC)n[nH]1 ZINC000738478954 585046404 /nfs/dbraw/zinc/04/64/04/585046404.db2.gz DTTGNABXTXYSES-UHFFFAOYSA-N 0 1 239.279 -0.483 20 0 BBADMN CC(=O)N1CCC[N@@H+](CCNC(=O)[O-])CC1 ZINC000738522719 603081767 /nfs/dbraw/zinc/08/17/67/603081767.db2.gz FMKRPQGVBAXKAK-UHFFFAOYSA-N 0 1 229.280 -0.192 20 0 BBADMN CC(=O)N[C@@H]1CCC[N@@H+](CCNC(=O)[O-])C1 ZINC000738543687 603083420 /nfs/dbraw/zinc/08/34/20/603083420.db2.gz VURGUFIIXZJIFJ-SECBINFHSA-N 0 1 229.280 -0.146 20 0 BBADMN CC(=O)N[C@H]1CCC[N@@H+](CCNC(=O)[O-])C1 ZINC000738543688 603083561 /nfs/dbraw/zinc/08/35/61/603083561.db2.gz VURGUFIIXZJIFJ-VIFPVBQESA-N 0 1 229.280 -0.146 20 0 BBADMN CC(=O)NCC[N@@H+](C)CCCNC(=O)[O-] ZINC000738555452 603314584 /nfs/dbraw/zinc/31/45/84/603314584.db2.gz IPYRUXKNIMFHRK-UHFFFAOYSA-N 0 1 217.269 -0.288 20 0 BBADMN CC(=O)NCCC[N@H+]1CC[C@@H](NC(=O)[O-])C1 ZINC000738556710 604366156 /nfs/dbraw/zinc/36/61/56/604366156.db2.gz UYRANTBLXFXKMJ-SECBINFHSA-N 0 1 229.280 -0.146 20 0 BBADMN CC(=O)NCCC[N@H+]1CC[C@H](NC(=O)[O-])C1 ZINC000738556712 605919307 /nfs/dbraw/zinc/91/93/07/605919307.db2.gz UYRANTBLXFXKMJ-VIFPVBQESA-N 0 1 229.280 -0.146 20 0 BBADMN O=C([O-])CCC[N@H+]1CC[C@@]2(C1)NC(=O)NC2=O ZINC000738575987 597795540 /nfs/dbraw/zinc/79/55/40/597795540.db2.gz QHBZEWCHGGTANN-JTQLQIEISA-N 0 1 241.247 -0.865 20 0 BBADMN O=C([O-])CCC[N@H+]1CC[C@]2(C1)NC(=O)NC2=O ZINC000738575988 597795563 /nfs/dbraw/zinc/79/55/63/597795563.db2.gz QHBZEWCHGGTANN-SNVBAGLBSA-N 0 1 241.247 -0.865 20 0 BBADMN O=C([O-])CC[N@H+]1CCO[C@@H](Cn2cncn2)C1 ZINC000738588309 599923187 /nfs/dbraw/zinc/92/31/87/599923187.db2.gz LOHRKOUVMQDUMH-SECBINFHSA-N 0 1 240.263 -0.546 20 0 BBADMN O=C([O-])CC[N@H+]1CCO[C@H](Cn2cncn2)C1 ZINC000738588310 599923243 /nfs/dbraw/zinc/92/32/43/599923243.db2.gz LOHRKOUVMQDUMH-VIFPVBQESA-N 0 1 240.263 -0.546 20 0 BBADMN C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@H](NC(=O)[O-])C1 ZINC000738601658 604371265 /nfs/dbraw/zinc/37/12/65/604371265.db2.gz LRXYCPRANUSXRX-HTQZYQBOSA-N 0 1 229.280 -0.195 20 0 BBADMN C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@@H](NC(=O)[O-])C1 ZINC000738601671 604371233 /nfs/dbraw/zinc/37/12/33/604371233.db2.gz LRXYCPRANUSXRX-JGVFFNPUSA-N 0 1 229.280 -0.195 20 0 BBADMN C[C@H](C(=O)N(C)C)[N@H+]1CC[C@H](NC(=O)[O-])C1 ZINC000738601683 605159970 /nfs/dbraw/zinc/15/99/70/605159970.db2.gz LRXYCPRANUSXRX-SFYZADRCSA-N 0 1 229.280 -0.195 20 0 BBADMN C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@H](NC(=O)[O-])C1 ZINC000738601692 605160455 /nfs/dbraw/zinc/16/04/55/605160455.db2.gz LRXYCPRANUSXRX-YUMQZZPRSA-N 0 1 229.280 -0.195 20 0 BBADMN O=C([O-])C[N@H+](C[C@H](O)Cn1cccn1)C1CC1 ZINC000738605904 601462838 /nfs/dbraw/zinc/46/28/38/601462838.db2.gz YJNAAPAWPVRMIC-JTQLQIEISA-N 0 1 239.275 -0.207 20 0 BBADMN O=C([O-])C[N@H+](C[C@@H](O)Cn1cccn1)C1CC1 ZINC000738605905 601463034 /nfs/dbraw/zinc/46/30/34/601463034.db2.gz YJNAAPAWPVRMIC-SNVBAGLBSA-N 0 1 239.275 -0.207 20 0 BBADMN O=C([O-])CNC(=O)CCCC[NH+]1CCOCC1 ZINC000738610211 599826613 /nfs/dbraw/zinc/82/66/13/599826613.db2.gz DKXXFIBRNGBQSY-UHFFFAOYSA-N 0 1 244.291 -0.310 20 0 BBADMN C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@H](NC(=O)[O-])C1 ZINC000738618129 605927999 /nfs/dbraw/zinc/92/79/99/605927999.db2.gz IOXNSVHEGAUXTF-APPZFPTMSA-N 0 1 241.291 -0.005 20 0 BBADMN C[C@H](C(=O)NC1CC1)[N@@H+]1CC[C@H](NC(=O)[O-])C1 ZINC000738618129 605927997 /nfs/dbraw/zinc/92/79/97/605927997.db2.gz IOXNSVHEGAUXTF-APPZFPTMSA-N 0 1 241.291 -0.005 20 0 BBADMN C[C@@H](C(=O)NC1CC1)[N@H+]1CC[C@H](NC(=O)[O-])C1 ZINC000738618132 605928019 /nfs/dbraw/zinc/92/80/19/605928019.db2.gz IOXNSVHEGAUXTF-CBAPKCEASA-N 0 1 241.291 -0.005 20 0 BBADMN C[C@@H](C(=O)NC1CC1)[N@@H+]1CC[C@H](NC(=O)[O-])C1 ZINC000738618132 605928016 /nfs/dbraw/zinc/92/80/16/605928016.db2.gz IOXNSVHEGAUXTF-CBAPKCEASA-N 0 1 241.291 -0.005 20 0 BBADMN C[C@@H](C(=O)NC1CC1)[N@H+]1CC[C@@H](NC(=O)[O-])C1 ZINC000738618134 604379224 /nfs/dbraw/zinc/37/92/24/604379224.db2.gz IOXNSVHEGAUXTF-IONNQARKSA-N 0 1 241.291 -0.005 20 0 BBADMN C[C@@H](C(=O)NC1CC1)[N@@H+]1CC[C@@H](NC(=O)[O-])C1 ZINC000738618134 604379220 /nfs/dbraw/zinc/37/92/20/604379220.db2.gz IOXNSVHEGAUXTF-IONNQARKSA-N 0 1 241.291 -0.005 20 0 BBADMN C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@@H](NC(=O)[O-])C1 ZINC000738618135 604379076 /nfs/dbraw/zinc/37/90/76/604379076.db2.gz IOXNSVHEGAUXTF-VXNVDRBHSA-N 0 1 241.291 -0.005 20 0 BBADMN C[C@H](C(=O)NC1CC1)[N@@H+]1CC[C@@H](NC(=O)[O-])C1 ZINC000738618135 604379072 /nfs/dbraw/zinc/37/90/72/604379072.db2.gz IOXNSVHEGAUXTF-VXNVDRBHSA-N 0 1 241.291 -0.005 20 0 BBADMN C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCCNC(=O)[O-] ZINC000738619624 603255106 /nfs/dbraw/zinc/25/51/06/603255106.db2.gz NFBAPYVKQHOEJY-LURJTMIESA-N 0 1 246.267 -0.841 20 0 BBADMN C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCCNC(=O)[O-] ZINC000738619625 603255728 /nfs/dbraw/zinc/25/57/28/603255728.db2.gz NFBAPYVKQHOEJY-ZCFIWIBFSA-N 0 1 246.267 -0.841 20 0 BBADMN O=C([O-])N1CCC[N@H+](CCOCCO)CC1 ZINC000738645719 603082450 /nfs/dbraw/zinc/08/24/50/603082450.db2.gz PUKFYBQMOQEMHS-UHFFFAOYSA-N 0 1 232.280 -0.319 20 0 BBADMN O=C([O-])N1CC[NH+](C[C@@H]2COCCO2)CC1 ZINC000738645815 602873990 /nfs/dbraw/zinc/87/39/90/602873990.db2.gz XFHIIJZPRVDXGA-SECBINFHSA-N 0 1 230.264 -0.303 20 0 BBADMN O=C([O-])N1CC[NH+](C[C@H]2COCCO2)CC1 ZINC000738645817 602874007 /nfs/dbraw/zinc/87/40/07/602874007.db2.gz XFHIIJZPRVDXGA-VIFPVBQESA-N 0 1 230.264 -0.303 20 0 BBADMN O=C([O-])N1CCC[N@@H+](CCn2cncn2)CC1 ZINC000738645870 602367976 /nfs/dbraw/zinc/36/79/76/602367976.db2.gz SIIRKTYFMKJCSO-UHFFFAOYSA-N 0 1 239.279 -0.036 20 0 BBADMN C[C@H](C(N)=O)[N@H+]1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000738650106 602539189 /nfs/dbraw/zinc/53/91/89/602539189.db2.gz GNGSDPWCUWVNQM-HTQZYQBOSA-N 0 1 229.280 -0.208 20 0 BBADMN C[C@@H](C(N)=O)[N@H+]1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000738650109 602539242 /nfs/dbraw/zinc/53/92/42/602539242.db2.gz GNGSDPWCUWVNQM-JGVFFNPUSA-N 0 1 229.280 -0.208 20 0 BBADMN C[C@H](C(N)=O)[N@H+]1CC[C@@H](CN(C)C(=O)[O-])C1 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C[C@H](C(=O)[O-])[N@@H+](C)C[C@H](O)CN1CCCC1=O ZINC000817772218 586826998 /nfs/dbraw/zinc/82/69/98/586826998.db2.gz LRUAEAHYWUVHLE-BDAKNGLRSA-N 0 1 244.291 -0.625 20 0 BBADMN C[C@@H](C(=O)[O-])[N@@H+](C)C[C@@H](O)CN1CCCC1=O ZINC000817772219 586826678 /nfs/dbraw/zinc/82/66/78/586826678.db2.gz LRUAEAHYWUVHLE-DTWKUNHWSA-N 0 1 244.291 -0.625 20 0 BBADMN C[C@@H](C(=O)[O-])[N@@H+](C)C[C@H](O)CN1CCCC1=O ZINC000817772220 586826536 /nfs/dbraw/zinc/82/65/36/586826536.db2.gz LRUAEAHYWUVHLE-IUCAKERBSA-N 0 1 244.291 -0.625 20 0 BBADMN C[C@H](C(=O)[O-])[N@@H+](C)C[C@@H](O)CN1CCCC1=O ZINC000817772221 586826542 /nfs/dbraw/zinc/82/65/42/586826542.db2.gz LRUAEAHYWUVHLE-RKDXNWHRSA-N 0 1 244.291 -0.625 20 0 BBADMN C[C@H](C(=O)[O-])[N@@H+](C)CCC(=O)N1CCOCC1 ZINC000817772398 586827339 /nfs/dbraw/zinc/82/73/39/586827339.db2.gz YBFXVPYCQIWAIS-SECBINFHSA-N 0 1 244.291 -0.360 20 0 BBADMN C[C@@H](C(=O)[O-])[N@@H+](C)CCC(=O)N1CCOCC1 ZINC000817772399 586827768 /nfs/dbraw/zinc/82/77/68/586827768.db2.gz 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ZINC000817933269 586842965 /nfs/dbraw/zinc/84/29/65/586842965.db2.gz MWNBVIYPLCFNPI-RKDXNWHRSA-N 0 1 244.291 -0.458 20 0 BBADMN CN(C)CC(=O)NCCCc1cnn(C)n1 ZINC000817950980 586848138 /nfs/dbraw/zinc/84/81/38/586848138.db2.gz GXCMEEACVDFTGA-UHFFFAOYSA-N 0 1 225.296 -0.575 20 0 BBADMN CC(C)[C@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)[O-] ZINC000817961549 586853342 /nfs/dbraw/zinc/85/33/42/586853342.db2.gz MWNBVIYPLCFNPI-BDAKNGLRSA-N 0 1 244.291 -0.458 20 0 BBADMN CC(C)[C@H](NC(=O)[C@H]1C[N@H+](C)CCO1)C(=O)[O-] ZINC000817961549 586853340 /nfs/dbraw/zinc/85/33/40/586853340.db2.gz MWNBVIYPLCFNPI-BDAKNGLRSA-N 0 1 244.291 -0.458 20 0 BBADMN CC(C)[C@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)[O-] ZINC000817961550 586853413 /nfs/dbraw/zinc/85/34/13/586853413.db2.gz MWNBVIYPLCFNPI-IUCAKERBSA-N 0 1 244.291 -0.458 20 0 BBADMN CC(C)[C@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)[O-] ZINC000817961550 586853412 /nfs/dbraw/zinc/85/34/12/586853412.db2.gz MWNBVIYPLCFNPI-IUCAKERBSA-N 0 1 244.291 -0.458 20 0 BBADMN C[C@@H](C(=O)NCCCc1cnn(C)n1)N(C)C ZINC000817962965 586852905 /nfs/dbraw/zinc/85/29/05/586852905.db2.gz GJAAKAFHFPSHGW-VIFPVBQESA-N 0 1 239.323 -0.186 20 0 BBADMN Cn1ncc(CCCNC(=O)c2cnn[nH]2)n1 ZINC000817964243 586854414 /nfs/dbraw/zinc/85/44/14/586854414.db2.gz UZVJHVQYSXBQAM-UHFFFAOYSA-N 0 1 235.251 -0.704 20 0 BBADMN COC(=O)C1(C)CN(CCC(=O)N(C)OC)C1 ZINC000818174880 586878836 /nfs/dbraw/zinc/87/88/36/586878836.db2.gz RXPQRAWQEVUBMN-UHFFFAOYSA-N 0 1 244.291 -0.109 20 0 BBADMN CCN(C)C(=O)CC[N@H+]1CCO[C@@H](C(=O)[O-])C1 ZINC000818190187 586879175 /nfs/dbraw/zinc/87/91/75/586879175.db2.gz IERWSIHHYYLZCI-SECBINFHSA-N 0 1 244.291 -0.360 20 0 BBADMN CCN(C)C(=O)CC[N@H+]1CCO[C@H](C(=O)[O-])C1 ZINC000818190188 586878445 /nfs/dbraw/zinc/87/84/45/586878445.db2.gz IERWSIHHYYLZCI-VIFPVBQESA-N 0 1 244.291 -0.360 20 0 BBADMN CCN(C)C(=O)CC[N@@H+](C)CC(=O)[O-] ZINC000818190474 586878712 /nfs/dbraw/zinc/87/87/12/586878712.db2.gz WMOLGYPVQXSBSV-UHFFFAOYSA-N 0 1 202.254 -0.129 20 0 BBADMN 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1 244.291 -0.360 20 0 BBADMN CC[N@H+]1CCO[C@H](C(=O)N(C)[C@H](C)C(=O)[O-])C1 ZINC000818207883 586880082 /nfs/dbraw/zinc/88/00/82/586880082.db2.gz SDGZTDBFBFYFHV-BDAKNGLRSA-N 0 1 244.291 -0.361 20 0 BBADMN CC[N@@H+]1CCO[C@H](C(=O)N(C)[C@H](C)C(=O)[O-])C1 ZINC000818207883 586880080 /nfs/dbraw/zinc/88/00/80/586880080.db2.gz SDGZTDBFBFYFHV-BDAKNGLRSA-N 0 1 244.291 -0.361 20 0 BBADMN CC[N@H+]1CCO[C@@H](C(=O)N(C)[C@@H](C)C(=O)[O-])C1 ZINC000818207884 586879755 /nfs/dbraw/zinc/87/97/55/586879755.db2.gz SDGZTDBFBFYFHV-DTWKUNHWSA-N 0 1 244.291 -0.361 20 0 BBADMN CC[N@@H+]1CCO[C@@H](C(=O)N(C)[C@@H](C)C(=O)[O-])C1 ZINC000818207884 586879751 /nfs/dbraw/zinc/87/97/51/586879751.db2.gz SDGZTDBFBFYFHV-DTWKUNHWSA-N 0 1 244.291 -0.361 20 0 BBADMN CC[N@H+]1CCO[C@H](C(=O)N(C)[C@@H](C)C(=O)[O-])C1 ZINC000818207885 586879870 /nfs/dbraw/zinc/87/98/70/586879870.db2.gz SDGZTDBFBFYFHV-IUCAKERBSA-N 0 1 244.291 -0.361 20 0 BBADMN CC[N@@H+]1CCO[C@H](C(=O)N(C)[C@@H](C)C(=O)[O-])C1 ZINC000818207885 586879869 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C/C(=C/C[N@H+]1CCO[C@@H](C(N)=O)C1)C(=O)[O-] ZINC000825747280 587336509 /nfs/dbraw/zinc/33/65/09/587336509.db2.gz RLVAVICTGSGFCN-VKWJFSHESA-N 0 1 228.248 -0.797 20 0 BBADMN C/C(=C/C[N@@H+]1CCO[C@@H](C(N)=O)C1)C(=O)[O-] ZINC000825747280 587336508 /nfs/dbraw/zinc/33/65/08/587336508.db2.gz RLVAVICTGSGFCN-VKWJFSHESA-N 0 1 228.248 -0.797 20 0 BBADMN C/C(=C/C[N@@H+]1C[C@H](O)C[C@H](O)C1)C(=O)[O-] ZINC000825747307 587336601 /nfs/dbraw/zinc/33/66/01/587336601.db2.gz SEPHAUXXKFOQHW-INQDSFTMSA-N 0 1 215.249 -0.555 20 0 BBADMN C/C(=C\C[N@@H+]1C[C@H](O)C[C@H](O)C1)C(=O)[O-] ZINC000825747308 587336680 /nfs/dbraw/zinc/33/66/80/587336680.db2.gz SEPHAUXXKFOQHW-NOHLNZIPSA-N 0 1 215.249 -0.555 20 0 BBADMN CCc1nsc(-n2cnc(-c3nn[nH]n3)n2)n1 ZINC000825777285 587338731 /nfs/dbraw/zinc/33/87/31/587338731.db2.gz SEQIYFBPDUCANI-UHFFFAOYSA-N 0 1 249.263 -0.139 20 0 BBADMN C[C@@H]1C[C@@H](NC(=O)CNC(=O)[O-])C[N@H+]1C1CC1 ZINC000825796009 587339952 /nfs/dbraw/zinc/33/99/52/587339952.db2.gz 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587342925 /nfs/dbraw/zinc/34/29/25/587342925.db2.gz OXHKWYKUZIUGLD-JTQLQIEISA-N 0 1 244.291 -0.312 20 0 BBADMN CC(=O)NCCC[N@H+]1CCO[C@H](CC(=O)[O-])C1 ZINC000825875973 587343272 /nfs/dbraw/zinc/34/32/72/587343272.db2.gz OXHKWYKUZIUGLD-SNVBAGLBSA-N 0 1 244.291 -0.312 20 0 BBADMN CC(=O)NCCC[N@@H+]1CCO[C@H](CC(=O)[O-])C1 ZINC000825875973 587343271 /nfs/dbraw/zinc/34/32/71/587343271.db2.gz OXHKWYKUZIUGLD-SNVBAGLBSA-N 0 1 244.291 -0.312 20 0 BBADMN C[C@@H]1CCC[N@@H+](CC(N)=O)[C@@H]1CNC(=O)[O-] ZINC000825926072 587345298 /nfs/dbraw/zinc/34/52/98/587345298.db2.gz UMZLIEFXLONNMO-HTQZYQBOSA-N 0 1 229.280 -0.160 20 0 BBADMN C[C@@H]1CCC[N@H+](CC(N)=O)[C@@H]1CNC(=O)[O-] ZINC000825926072 587345296 /nfs/dbraw/zinc/34/52/96/587345296.db2.gz UMZLIEFXLONNMO-HTQZYQBOSA-N 0 1 229.280 -0.160 20 0 BBADMN C[C@H]1CCC[N@@H+](CC(N)=O)[C@@H]1CNC(=O)[O-] ZINC000825926073 587345202 /nfs/dbraw/zinc/34/52/02/587345202.db2.gz UMZLIEFXLONNMO-JGVFFNPUSA-N 0 1 229.280 -0.160 20 0 BBADMN 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CCc1cc(CNC(=O)[C@@H]2CCNC2=O)n[nH]1 ZINC000827424559 587380951 /nfs/dbraw/zinc/38/09/51/587380951.db2.gz GPUIASSBEWEWQR-SECBINFHSA-N 0 1 236.275 -0.276 20 0 BBADMN CCc1cc(CNC(=O)[C@H]2CCNC2=O)n[nH]1 ZINC000827424567 587380689 /nfs/dbraw/zinc/38/06/89/587380689.db2.gz GPUIASSBEWEWQR-VIFPVBQESA-N 0 1 236.275 -0.276 20 0 BBADMN O=C(NC1=NCC(=O)N1)[C@H]1CCc2[nH]cnc2C1 ZINC000827431483 587380905 /nfs/dbraw/zinc/38/09/05/587380905.db2.gz MTFIXCQOTYVQFD-LURJTMIESA-N 0 1 247.258 -0.883 20 0 BBADMN O=C(NC1=NCC(=O)N1)[C@@H]1CCc2[nH]cnc2C1 ZINC000827431484 587380676 /nfs/dbraw/zinc/38/06/76/587380676.db2.gz MTFIXCQOTYVQFD-ZCFIWIBFSA-N 0 1 247.258 -0.883 20 0 BBADMN C[C@H](CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)[O-] ZINC000827436570 587381148 /nfs/dbraw/zinc/38/11/48/587381148.db2.gz DZHHCQIOXYLOPZ-BDAKNGLRSA-N 0 1 244.291 -0.504 20 0 BBADMN C[C@H](CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)[O-] ZINC000827436570 587381146 /nfs/dbraw/zinc/38/11/46/587381146.db2.gz DZHHCQIOXYLOPZ-BDAKNGLRSA-N 0 1 244.291 -0.504 20 0 BBADMN C[C@@H](CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)[O-] ZINC000827436571 587381128 /nfs/dbraw/zinc/38/11/28/587381128.db2.gz DZHHCQIOXYLOPZ-DTWKUNHWSA-N 0 1 244.291 -0.504 20 0 BBADMN C[C@@H](CN(C)C(=O)[C@H]1C[N@H+](C)CCO1)C(=O)[O-] ZINC000827436571 587381127 /nfs/dbraw/zinc/38/11/27/587381127.db2.gz DZHHCQIOXYLOPZ-DTWKUNHWSA-N 0 1 244.291 -0.504 20 0 BBADMN C[C@@H](CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)[O-] ZINC000827436572 587381054 /nfs/dbraw/zinc/38/10/54/587381054.db2.gz DZHHCQIOXYLOPZ-IUCAKERBSA-N 0 1 244.291 -0.504 20 0 BBADMN C[C@@H](CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)[O-] ZINC000827436572 587381053 /nfs/dbraw/zinc/38/10/53/587381053.db2.gz DZHHCQIOXYLOPZ-IUCAKERBSA-N 0 1 244.291 -0.504 20 0 BBADMN C[C@H](CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)[O-] ZINC000827436573 587381115 /nfs/dbraw/zinc/38/11/15/587381115.db2.gz DZHHCQIOXYLOPZ-RKDXNWHRSA-N 0 1 244.291 -0.504 20 0 BBADMN C[C@H](CN(C)C(=O)[C@H]1C[N@H+](C)CCO1)C(=O)[O-] ZINC000827436573 587381113 /nfs/dbraw/zinc/38/11/13/587381113.db2.gz DZHHCQIOXYLOPZ-RKDXNWHRSA-N 0 1 244.291 -0.504 20 0 BBADMN C[C@H](C[N@@H+](C)C[C@H](O)COCCO)C(=O)[O-] ZINC000827442780 587381490 /nfs/dbraw/zinc/38/14/90/587381490.db2.gz UIBTYCYYVWWCPN-BDAKNGLRSA-N 0 1 235.280 -0.991 20 0 BBADMN C[C@@H](C[N@@H+](C)C[C@@H](O)COCCO)C(=O)[O-] ZINC000827442781 587381905 /nfs/dbraw/zinc/38/19/05/587381905.db2.gz UIBTYCYYVWWCPN-DTWKUNHWSA-N 0 1 235.280 -0.991 20 0 BBADMN C[C@@H](C[N@@H+](C)C[C@H](O)COCCO)C(=O)[O-] ZINC000827442782 587381513 /nfs/dbraw/zinc/38/15/13/587381513.db2.gz UIBTYCYYVWWCPN-IUCAKERBSA-N 0 1 235.280 -0.991 20 0 BBADMN C[C@H](C[N@@H+](C)C[C@@H](O)COCCO)C(=O)[O-] ZINC000827442783 587381499 /nfs/dbraw/zinc/38/14/99/587381499.db2.gz UIBTYCYYVWWCPN-RKDXNWHRSA-N 0 1 235.280 -0.991 20 0 BBADMN C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)[O-] ZINC000827465765 587382114 /nfs/dbraw/zinc/38/21/14/587382114.db2.gz DBTNGAWYMJIQFG-HTQZYQBOSA-N 0 1 230.264 -0.846 20 0 BBADMN C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)C(=O)[O-] ZINC000827465765 587382112 /nfs/dbraw/zinc/38/21/12/587382112.db2.gz DBTNGAWYMJIQFG-HTQZYQBOSA-N 0 1 230.264 -0.846 20 0 BBADMN C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)[O-] ZINC000827465766 587382181 /nfs/dbraw/zinc/38/21/81/587382181.db2.gz DBTNGAWYMJIQFG-JGVFFNPUSA-N 0 1 230.264 -0.846 20 0 BBADMN C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)C(=O)[O-] ZINC000827465766 587382180 /nfs/dbraw/zinc/38/21/80/587382180.db2.gz DBTNGAWYMJIQFG-JGVFFNPUSA-N 0 1 230.264 -0.846 20 0 BBADMN C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)[O-] ZINC000827465767 587382163 /nfs/dbraw/zinc/38/21/63/587382163.db2.gz DBTNGAWYMJIQFG-SFYZADRCSA-N 0 1 230.264 -0.846 20 0 BBADMN C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)[O-] ZINC000827465767 587382162 /nfs/dbraw/zinc/38/21/62/587382162.db2.gz DBTNGAWYMJIQFG-SFYZADRCSA-N 0 1 230.264 -0.846 20 0 BBADMN C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)[O-] ZINC000827465768 587382204 /nfs/dbraw/zinc/38/22/04/587382204.db2.gz DBTNGAWYMJIQFG-YUMQZZPRSA-N 0 1 230.264 -0.846 20 0 BBADMN C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)[O-] ZINC000827465768 587382201 /nfs/dbraw/zinc/38/22/01/587382201.db2.gz DBTNGAWYMJIQFG-YUMQZZPRSA-N 0 1 230.264 -0.846 20 0 BBADMN CC[C@](C)(O)C(=O)NCCN1CC[C@@H](O)C1 ZINC000827528457 587386140 /nfs/dbraw/zinc/38/61/40/587386140.db2.gz LHDMPWHKNVUPML-KOLCDFICSA-N 0 1 230.308 -0.670 20 0 BBADMN CC[C@](C)(O)C(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000827528457 587386139 /nfs/dbraw/zinc/38/61/39/587386139.db2.gz LHDMPWHKNVUPML-KOLCDFICSA-N 0 1 230.308 -0.670 20 0 BBADMN CC[C@@](C)(O)C(=O)NCCN1CC[C@@H](O)C1 ZINC000827528464 587386352 /nfs/dbraw/zinc/38/63/52/587386352.db2.gz LHDMPWHKNVUPML-MWLCHTKSSA-N 0 1 230.308 -0.670 20 0 BBADMN CC[C@@](C)(O)C(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000827528464 587386350 /nfs/dbraw/zinc/38/63/50/587386350.db2.gz LHDMPWHKNVUPML-MWLCHTKSSA-N 0 1 230.308 -0.670 20 0 BBADMN CN1CCC[C@H](NC(=O)[C@@]2(F)CC[NH2+]C2)C1 ZINC000827528879 587385955 /nfs/dbraw/zinc/38/59/55/587385955.db2.gz CPGIMBPGBCXHSK-GXSJLCMTSA-N 0 1 229.299 -0.102 20 0 BBADMN CN1CCC[C@@H](NC(=O)[C@]2(F)CC[NH2+]C2)C1 ZINC000827528880 587386344 /nfs/dbraw/zinc/38/63/44/587386344.db2.gz CPGIMBPGBCXHSK-KOLCDFICSA-N 0 1 229.299 -0.102 20 0 BBADMN CN1CCC[C@@H](NC(=O)[C@@]2(F)CC[NH2+]C2)C1 ZINC000827528881 587386052 /nfs/dbraw/zinc/38/60/52/587386052.db2.gz CPGIMBPGBCXHSK-MWLCHTKSSA-N 0 1 229.299 -0.102 20 0 BBADMN CCC[C@H](O)C(=O)NCCN1CC[C@@H](O)C1 ZINC000827529437 645080573 /nfs/dbraw/zinc/08/05/73/645080573.db2.gz XDWNSPGKIGTZHC-ZJUUUORDSA-N 0 1 230.308 -0.670 20 0 BBADMN CO[C@@H]1C[C@H]1C(=O)NCCN1CC[C@@H](O)C1 ZINC000827536279 645081480 /nfs/dbraw/zinc/08/14/80/645081480.db2.gz REHBILHCQCUXDT-OPRDCNLKSA-N 0 1 228.292 -0.796 20 0 BBADMN CN1CCCC[C@H]1C(=O)N1CC[C@@H](O)[C@@H](O)C1 ZINC000827587421 587390773 /nfs/dbraw/zinc/39/07/73/587390773.db2.gz QNEYFPLICDIVII-AXFHLTTASA-N 0 1 242.319 -0.575 20 0 BBADMN CN1CCCC[C@@H]1C(=O)N1CC[C@@H](O)[C@@H](O)C1 ZINC000827587422 587391168 /nfs/dbraw/zinc/39/11/68/587391168.db2.gz QNEYFPLICDIVII-MXWKQRLJSA-N 0 1 242.319 -0.575 20 0 BBADMN O=C(CN1CCCC1)N1CC[C@@H](O)[C@@H](O)C1 ZINC000827591701 587391496 /nfs/dbraw/zinc/39/14/96/587391496.db2.gz ZVOWSCUKCCGSHL-ZJUUUORDSA-N 0 1 228.292 -0.964 20 0 BBADMN CCN(CC(=O)N1CC[C@@H](O)[C@@H](O)C1)C1CC1 ZINC000827594623 587391506 /nfs/dbraw/zinc/39/15/06/587391506.db2.gz RWGUISNJWQCUIZ-MNOVXSKESA-N 0 1 242.319 -0.575 20 0 BBADMN CN1CCC[C@H]1C(=O)N1CC[C@@H](O)[C@@H](O)C1 ZINC000827605221 587391839 /nfs/dbraw/zinc/39/18/39/587391839.db2.gz IJGFGPXXMPALAC-AEJSXWLSSA-N 0 1 228.292 -0.965 20 0 BBADMN CN1CCC[C@@H]1C(=O)N1CC[C@@H](O)[C@@H](O)C1 ZINC000827605231 587391930 /nfs/dbraw/zinc/39/19/30/587391930.db2.gz IJGFGPXXMPALAC-BBBLOLIVSA-N 0 1 228.292 -0.965 20 0 BBADMN CCc1cc(C(=O)N2CC[C@@H](O)[C@@H](O)C2)n[nH]1 ZINC000827618516 587392362 /nfs/dbraw/zinc/39/23/62/587392362.db2.gz KFROGTDXOGGRCY-ZJUUUORDSA-N 0 1 239.275 -0.460 20 0 BBADMN C[C@@H](NC(=O)CCC(=O)[O-])[C@@H]1C[N@@H+](C)CCO1 ZINC000827630390 587393332 /nfs/dbraw/zinc/39/33/32/587393332.db2.gz ODSZDZJTUVMRLS-BDAKNGLRSA-N 0 1 244.291 -0.314 20 0 BBADMN C[C@@H](NC(=O)CCC(=O)[O-])[C@@H]1C[N@H+](C)CCO1 ZINC000827630390 587393330 /nfs/dbraw/zinc/39/33/30/587393330.db2.gz ODSZDZJTUVMRLS-BDAKNGLRSA-N 0 1 244.291 -0.314 20 0 BBADMN C[C@H](NC(=O)CCC(=O)[O-])[C@H]1C[N@@H+](C)CCO1 ZINC000827630393 587393479 /nfs/dbraw/zinc/39/34/79/587393479.db2.gz ODSZDZJTUVMRLS-DTWKUNHWSA-N 0 1 244.291 -0.314 20 0 BBADMN C[C@H](NC(=O)CCC(=O)[O-])[C@H]1C[N@H+](C)CCO1 ZINC000827630393 587393478 /nfs/dbraw/zinc/39/34/78/587393478.db2.gz ODSZDZJTUVMRLS-DTWKUNHWSA-N 0 1 244.291 -0.314 20 0 BBADMN C[C@H](NC(=O)CCC(=O)[O-])[C@@H]1C[N@@H+](C)CCO1 ZINC000827630396 587393492 /nfs/dbraw/zinc/39/34/92/587393492.db2.gz ODSZDZJTUVMRLS-IUCAKERBSA-N 0 1 244.291 -0.314 20 0 BBADMN C[C@H](NC(=O)CCC(=O)[O-])[C@@H]1C[N@H+](C)CCO1 ZINC000827630396 587393491 /nfs/dbraw/zinc/39/34/91/587393491.db2.gz ODSZDZJTUVMRLS-IUCAKERBSA-N 0 1 244.291 -0.314 20 0 BBADMN C[C@@H](NC(=O)CCC(=O)[O-])[C@H]1C[N@@H+](C)CCO1 ZINC000827630397 587393502 /nfs/dbraw/zinc/39/35/02/587393502.db2.gz ODSZDZJTUVMRLS-RKDXNWHRSA-N 0 1 244.291 -0.314 20 0 BBADMN C[C@@H](NC(=O)CCC(=O)[O-])[C@H]1C[N@H+](C)CCO1 ZINC000827630397 587393501 /nfs/dbraw/zinc/39/35/01/587393501.db2.gz ODSZDZJTUVMRLS-RKDXNWHRSA-N 0 1 244.291 -0.314 20 0 BBADMN CC1(C)C[C@@H](O)CN(C(=O)Cc2ncn[nH]2)C1 ZINC000827663295 587394928 /nfs/dbraw/zinc/39/49/28/587394928.db2.gz HAHICPSQNWZJQO-MRVPVSSYSA-N 0 1 238.291 -0.033 20 0 BBADMN CC1(C)C[C@H](O)CN(C(=O)Cc2ncn[nH]2)C1 ZINC000827663296 587395061 /nfs/dbraw/zinc/39/50/61/587395061.db2.gz HAHICPSQNWZJQO-QMMMGPOBSA-N 0 1 238.291 -0.033 20 0 BBADMN CCN1CCN(C(=O)[C@@H]2COC(=O)N2)C[C@H]1C ZINC000827675138 587395568 /nfs/dbraw/zinc/39/55/68/587395568.db2.gz QHDOWCUMRMINQK-BDAKNGLRSA-N 0 1 241.291 -0.353 20 0 BBADMN CCN1CCN(C(=O)[C@H]2COC(=O)N2)C[C@@H]1C ZINC000827675139 587395361 /nfs/dbraw/zinc/39/53/61/587395361.db2.gz QHDOWCUMRMINQK-DTWKUNHWSA-N 0 1 241.291 -0.353 20 0 BBADMN CCN1CCN(C(=O)[C@@H]2COC(=O)N2)C[C@@H]1C ZINC000827675140 587395465 /nfs/dbraw/zinc/39/54/65/587395465.db2.gz QHDOWCUMRMINQK-IUCAKERBSA-N 0 1 241.291 -0.353 20 0 BBADMN CCN1CCN(C(=O)[C@H]2COC(=O)N2)C[C@H]1C ZINC000827675141 587395665 /nfs/dbraw/zinc/39/56/65/587395665.db2.gz QHDOWCUMRMINQK-RKDXNWHRSA-N 0 1 241.291 -0.353 20 0 BBADMN Cc1cc(CNC(=O)[C@@H]2CCCN2C=O)n[nH]1 ZINC000827687217 587396468 /nfs/dbraw/zinc/39/64/68/587396468.db2.gz NCAOBNMFYBKHRB-JTQLQIEISA-N 0 1 236.275 -0.045 20 0 BBADMN Cc1cc(CNC(=O)[C@H]2CCCN2C=O)n[nH]1 ZINC000827687222 587396624 /nfs/dbraw/zinc/39/66/24/587396624.db2.gz NCAOBNMFYBKHRB-SNVBAGLBSA-N 0 1 236.275 -0.045 20 0 BBADMN CC[C@@](C)(O)C(=O)NCCN1CC[C@H](O)C1 ZINC000827749525 587401075 /nfs/dbraw/zinc/40/10/75/587401075.db2.gz LHDMPWHKNVUPML-GXSJLCMTSA-N 0 1 230.308 -0.670 20 0 BBADMN CC[C@](C)(O)C(=O)NCCN1CC[C@H](O)C1 ZINC000827749526 587400903 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/nfs/dbraw/zinc/47/23/07/587472307.db2.gz HHMKPEHYJVZVLU-IUCAKERBSA-N 0 1 244.291 -0.314 20 0 BBADMN CC[C@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)[O-] ZINC000828921656 587472225 /nfs/dbraw/zinc/47/22/25/587472225.db2.gz RPUDFWWUDADCGJ-JGVFFNPUSA-N 0 1 230.264 -0.704 20 0 BBADMN CC[C@H](NC(=O)[C@H]1C[N@H+](C)CCO1)C(=O)[O-] ZINC000828921656 587472224 /nfs/dbraw/zinc/47/22/24/587472224.db2.gz RPUDFWWUDADCGJ-JGVFFNPUSA-N 0 1 230.264 -0.704 20 0 BBADMN CC[C@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)[O-] ZINC000828921657 587472092 /nfs/dbraw/zinc/47/20/92/587472092.db2.gz RPUDFWWUDADCGJ-YUMQZZPRSA-N 0 1 230.264 -0.704 20 0 BBADMN CC[C@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)[O-] ZINC000828921657 587472090 /nfs/dbraw/zinc/47/20/90/587472090.db2.gz RPUDFWWUDADCGJ-YUMQZZPRSA-N 0 1 230.264 -0.704 20 0 BBADMN CC[C@H](NC(=O)CN1CC[NH+](C)CC1)C(=O)[O-] ZINC000828933169 587473103 /nfs/dbraw/zinc/47/31/03/587473103.db2.gz RENUDJWXLBRSAA-VIFPVBQESA-N 0 1 243.307 -0.787 20 0 BBADMN 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C[C@@H](O)[C@@H]1CC[N@@H+](CCC(=O)NCC(=O)[O-])C1 ZINC000833526770 587718720 /nfs/dbraw/zinc/71/87/20/587718720.db2.gz JBHDZHGEOAJPPT-RKDXNWHRSA-N 0 1 244.291 -0.720 20 0 BBADMN C[C@@H](O)[C@H]1CC[N@@H+](CC(=O)NCCC(=O)[O-])C1 ZINC000833527801 587718641 /nfs/dbraw/zinc/71/86/41/587718641.db2.gz MJZQZFLMSCAMMD-BDAKNGLRSA-N 0 1 244.291 -0.720 20 0 BBADMN C[C@H](O)[C@@H]1CC[N@@H+](CC(=O)NCCC(=O)[O-])C1 ZINC000833527802 587718839 /nfs/dbraw/zinc/71/88/39/587718839.db2.gz MJZQZFLMSCAMMD-DTWKUNHWSA-N 0 1 244.291 -0.720 20 0 BBADMN C[C@H](O)[C@H]1CC[N@@H+](CC(=O)NCCC(=O)[O-])C1 ZINC000833527803 587718698 /nfs/dbraw/zinc/71/86/98/587718698.db2.gz MJZQZFLMSCAMMD-IUCAKERBSA-N 0 1 244.291 -0.720 20 0 BBADMN C[C@@H](O)[C@@H]1CC[N@@H+](CC(=O)NCCC(=O)[O-])C1 ZINC000833527804 587718728 /nfs/dbraw/zinc/71/87/28/587718728.db2.gz MJZQZFLMSCAMMD-RKDXNWHRSA-N 0 1 244.291 -0.720 20 0 BBADMN C[C@H](O)[C@H]1CC[N@H+]([C@@H](C)C(=O)NCC(=O)[O-])C1 ZINC000833531022 587719250 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C[C@@]1(O)CCC[N@@H+](CC(=O)NCCC(=O)[O-])C1 ZINC000833572539 587721239 /nfs/dbraw/zinc/72/12/39/587721239.db2.gz TYAZCYPIZWLHGE-LLVKDONJSA-N 0 1 244.291 -0.576 20 0 BBADMN C[C@]1(O)CCC[N@@H+](CC(=O)NCCC(=O)[O-])C1 ZINC000833572541 587720980 /nfs/dbraw/zinc/72/09/80/587720980.db2.gz TYAZCYPIZWLHGE-NSHDSACASA-N 0 1 244.291 -0.576 20 0 BBADMN CC1=C(C(=O)[O-])C[C@H](C[N@H+](C)CC(N)=O)O1 ZINC000833576975 587721271 /nfs/dbraw/zinc/72/12/71/587721271.db2.gz NADRQOPAUDELKL-SSDOTTSWSA-N 0 1 228.248 -0.449 20 0 BBADMN CC1=C(C(=O)[O-])C[C@H](C[N@@H+](C)CC(N)=O)O1 ZINC000833576975 587721270 /nfs/dbraw/zinc/72/12/70/587721270.db2.gz NADRQOPAUDELKL-SSDOTTSWSA-N 0 1 228.248 -0.449 20 0 BBADMN CC1=C(C(=O)[O-])C[C@@H](C[N@H+](C)CC(N)=O)O1 ZINC000833576976 587721212 /nfs/dbraw/zinc/72/12/12/587721212.db2.gz NADRQOPAUDELKL-ZETCQYMHSA-N 0 1 228.248 -0.449 20 0 BBADMN CC1=C(C(=O)[O-])C[C@@H](C[N@@H+](C)CC(N)=O)O1 ZINC000833576976 587721211 /nfs/dbraw/zinc/72/12/11/587721211.db2.gz 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COCC[N@H+]1CC[C@H](C(=O)[O-])C[C@H]1C(=O)OC ZINC000833724781 587729563 /nfs/dbraw/zinc/72/95/63/587729563.db2.gz RJBNIIBKKQFGMM-IUCAKERBSA-N 0 1 245.275 -0.029 20 0 BBADMN COCC[N@@H+]1CC[C@H](C(=O)[O-])C[C@H]1C(=O)OC ZINC000833724781 587729561 /nfs/dbraw/zinc/72/95/61/587729561.db2.gz RJBNIIBKKQFGMM-IUCAKERBSA-N 0 1 245.275 -0.029 20 0 BBADMN COCC[N@H+]1CC[C@@H](C(=O)[O-])C[C@@H]1C(=O)OC ZINC000833724782 587729800 /nfs/dbraw/zinc/72/98/00/587729800.db2.gz RJBNIIBKKQFGMM-RKDXNWHRSA-N 0 1 245.275 -0.029 20 0 BBADMN COCC[N@@H+]1CC[C@@H](C(=O)[O-])C[C@@H]1C(=O)OC ZINC000833724782 587729798 /nfs/dbraw/zinc/72/97/98/587729798.db2.gz RJBNIIBKKQFGMM-RKDXNWHRSA-N 0 1 245.275 -0.029 20 0 BBADMN C[C@@H]1C[C@H](CNC(=O)[O-])C[N@H+]1[C@H]1CCNC1=O ZINC000833828370 587734728 /nfs/dbraw/zinc/73/47/28/587734728.db2.gz DGMZKNFVJMDXOF-HLTSFMKQSA-N 0 1 241.291 -0.147 20 0 BBADMN C[C@@H]1C[C@@H](CNC(=O)[O-])C[N@H+]1[C@@H]1CCNC1=O ZINC000833828375 587734579 /nfs/dbraw/zinc/73/45/79/587734579.db2.gz 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C[C@H]1C[C@H](CNC(=O)[O-])C[N@H+]1CCO ZINC000833834354 587735604 /nfs/dbraw/zinc/73/56/04/587735604.db2.gz NQEOMVLRZIPTSE-JGVFFNPUSA-N 0 1 202.254 -0.043 20 0 BBADMN C[C@@H]1C[C@@H](CNC(=O)[O-])C[N@H+]1CCO ZINC000833834356 587735485 /nfs/dbraw/zinc/73/54/85/587735485.db2.gz NQEOMVLRZIPTSE-SFYZADRCSA-N 0 1 202.254 -0.043 20 0 BBADMN C[C@H]1C[C@@H](CNC(=O)[O-])C[N@H+]1CCO ZINC000833834358 587735712 /nfs/dbraw/zinc/73/57/12/587735712.db2.gz NQEOMVLRZIPTSE-YUMQZZPRSA-N 0 1 202.254 -0.043 20 0 BBADMN C[C@@H]1C[C@H](CNC(=O)[O-])C[N@H+]1CCOCCO ZINC000833835045 587735423 /nfs/dbraw/zinc/73/54/23/587735423.db2.gz UHRDDISPUAFDBX-NXEZZACHSA-N 0 1 246.307 -0.027 20 0 BBADMN C[C@H]1C[C@@H](CNC(=O)[O-])C[N@H+]1CCOCCO ZINC000833835046 587735266 /nfs/dbraw/zinc/73/52/66/587735266.db2.gz UHRDDISPUAFDBX-UWVGGRQHSA-N 0 1 246.307 -0.027 20 0 BBADMN C[C@H]1C[C@H](CNC(=O)[O-])C[N@H+]1CCOCCO ZINC000833835047 587735553 /nfs/dbraw/zinc/73/55/53/587735553.db2.gz UHRDDISPUAFDBX-VHSXEESVSA-N 0 1 246.307 -0.027 20 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BBADMN CN(CC[N@@H+](C)[C@@H]1CCCNC1=O)C(=O)[O-] ZINC000833873967 587738111 /nfs/dbraw/zinc/73/81/11/587738111.db2.gz SZELBDDEWODQIK-MRVPVSSYSA-N 0 1 229.280 -0.193 20 0 BBADMN CN(CC[N@H+](C)[C@@H]1CCCNC1=O)C(=O)[O-] ZINC000833873967 587738110 /nfs/dbraw/zinc/73/81/10/587738110.db2.gz SZELBDDEWODQIK-MRVPVSSYSA-N 0 1 229.280 -0.193 20 0 BBADMN CN(CC[N@@H+](C)[C@H]1CCCNC1=O)C(=O)[O-] ZINC000833873968 587737919 /nfs/dbraw/zinc/73/79/19/587737919.db2.gz SZELBDDEWODQIK-QMMMGPOBSA-N 0 1 229.280 -0.193 20 0 BBADMN CN(CC[N@H+](C)[C@H]1CCCNC1=O)C(=O)[O-] ZINC000833873968 587737917 /nfs/dbraw/zinc/73/79/17/587737917.db2.gz SZELBDDEWODQIK-QMMMGPOBSA-N 0 1 229.280 -0.193 20 0 BBADMN CN(CC[N@@H+](C)[C@@H]1CCNC1=O)C(=O)[O-] ZINC000833873978 587737893 /nfs/dbraw/zinc/73/78/93/587737893.db2.gz UBVHWPOXHRZYBR-SSDOTTSWSA-N 0 1 215.253 -0.584 20 0 BBADMN CN(CC[N@H+](C)[C@@H]1CCNC1=O)C(=O)[O-] ZINC000833873978 587737892 /nfs/dbraw/zinc/73/78/92/587737892.db2.gz UBVHWPOXHRZYBR-SSDOTTSWSA-N 0 1 215.253 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/nfs/dbraw/zinc/67/45/75/592674575.db2.gz ARJWFZTXAOMJAF-SECBINFHSA-N 0 1 242.323 -0.403 20 0 BBADMN CCN1CC[C@H]1CNC(=O)N(C)CCC(N)=O ZINC000890060883 592674891 /nfs/dbraw/zinc/67/48/91/592674891.db2.gz ARJWFZTXAOMJAF-VIFPVBQESA-N 0 1 242.323 -0.403 20 0 BBADMN CC[C@@H](NC(=O)NC[C@@H]1CCN1CC)C(N)=O ZINC000890061044 585016511 /nfs/dbraw/zinc/01/65/11/585016511.db2.gz DBUBDZYGQQZJIE-DTWKUNHWSA-N 0 1 242.323 -0.356 20 0 BBADMN CC[C@@H](NC(=O)NC[C@H]1CCN1CC)C(N)=O ZINC000890061045 585016504 /nfs/dbraw/zinc/01/65/04/585016504.db2.gz DBUBDZYGQQZJIE-RKDXNWHRSA-N 0 1 242.323 -0.356 20 0 BBADMN CCN1CC[C@@H]1CNC(=O)NC(C)(CO)CO ZINC000890062762 592674393 /nfs/dbraw/zinc/67/43/93/592674393.db2.gz YWHKTAACDKSYIU-SECBINFHSA-N 0 1 245.323 -0.877 20 0 BBADMN CCN1CC[C@H]1CNC(=O)NC(C)(CO)CO ZINC000890062763 585016903 /nfs/dbraw/zinc/01/69/03/585016903.db2.gz YWHKTAACDKSYIU-VIFPVBQESA-N 0 1 245.323 -0.877 20 0 BBADMN CCN1CC[C@H]1CNC(=O)N1CC(CO)C1 ZINC000890063421 592674215 /nfs/dbraw/zinc/67/42/15/592674215.db2.gz GLXARXDKFSYHGD-JTQLQIEISA-N 0 1 227.308 -0.286 20 0 BBADMN CCN1CC[C@@H]1CNC(=O)N1CC(CO)C1 ZINC000890063422 592675247 /nfs/dbraw/zinc/67/52/47/592675247.db2.gz GLXARXDKFSYHGD-SNVBAGLBSA-N 0 1 227.308 -0.286 20 0 BBADMN CCN1CC[C@H]1CNC(=O)NC[C@@H](C)O ZINC000890064214 592674571 /nfs/dbraw/zinc/67/45/71/592674571.db2.gz UCEGSTDLAYSMBN-BDAKNGLRSA-N 0 1 215.297 -0.239 20 0 BBADMN CCN1CC[C@@H]1CNC(=O)NC[C@H](C)O ZINC000890064215 592675079 /nfs/dbraw/zinc/67/50/79/592675079.db2.gz UCEGSTDLAYSMBN-DTWKUNHWSA-N 0 1 215.297 -0.239 20 0 BBADMN CCN1CC[C@H]1CNC(=O)NC[C@H](C)O ZINC000890064216 592672923 /nfs/dbraw/zinc/67/29/23/592672923.db2.gz UCEGSTDLAYSMBN-IUCAKERBSA-N 0 1 215.297 -0.239 20 0 BBADMN CCN1CC[C@@H]1CNC(=O)NC[C@@H](C)O ZINC000890064217 592672840 /nfs/dbraw/zinc/67/28/40/592672840.db2.gz UCEGSTDLAYSMBN-RKDXNWHRSA-N 0 1 215.297 -0.239 20 0 BBADMN CCN1CC[C@@H]1CNC(=O)N(C)CCO ZINC000890066361 592674945 /nfs/dbraw/zinc/67/49/45/592674945.db2.gz SRBNKBFPRACUFT-SECBINFHSA-N 0 1 215.297 -0.286 20 0 BBADMN CCN1CC[C@H]1CNC(=O)N(C)CCO ZINC000890066362 592675178 /nfs/dbraw/zinc/67/51/78/592675178.db2.gz SRBNKBFPRACUFT-VIFPVBQESA-N 0 1 215.297 -0.286 20 0 BBADMN CCN1CC[C@H]1CNC(=O)N[C@H](C)CO ZINC000890066819 585019945 /nfs/dbraw/zinc/01/99/45/585019945.db2.gz AACAXMCYUMLDPB-BDAKNGLRSA-N 0 1 215.297 -0.239 20 0 BBADMN CCN1CC[C@@H]1CNC(=O)N[C@H](C)CO ZINC000890066820 585019924 /nfs/dbraw/zinc/01/99/24/585019924.db2.gz AACAXMCYUMLDPB-RKDXNWHRSA-N 0 1 215.297 -0.239 20 0 BBADMN CCN1CC[C@@H]1CNC(=O)NCCCO ZINC000890073046 592675853 /nfs/dbraw/zinc/67/58/53/592675853.db2.gz FAMKMHKALLRKON-SECBINFHSA-N 0 1 215.297 -0.238 20 0 BBADMN CCN1CC[C@H]1CNC(=O)NCCCO ZINC000890073047 592677134 /nfs/dbraw/zinc/67/71/34/592677134.db2.gz FAMKMHKALLRKON-VIFPVBQESA-N 0 1 215.297 -0.238 20 0 BBADMN CCN1CC[C@@H]1CNC(=O)N1CCNC(=O)C1 ZINC000890073292 592676443 /nfs/dbraw/zinc/67/64/43/592676443.db2.gz KGFOXUJFCNZFFM-SECBINFHSA-N 0 1 240.307 -0.778 20 0 BBADMN CCN1CC[C@H]1CNC(=O)N1CCNC(=O)C1 ZINC000890073293 592675603 /nfs/dbraw/zinc/67/56/03/592675603.db2.gz KGFOXUJFCNZFFM-VIFPVBQESA-N 0 1 240.307 -0.778 20 0 BBADMN C[C@H](C(=O)NCCCc1nnnn1C)N(C)C ZINC000890085186 592678054 /nfs/dbraw/zinc/67/80/54/592678054.db2.gz ZVISUJCLYUENJI-MRVPVSSYSA-N 0 1 240.311 -0.791 20 0 BBADMN C[C@@H](C(=O)NCCCc1nnnn1C)N(C)C ZINC000890085187 592678310 /nfs/dbraw/zinc/67/83/10/592678310.db2.gz ZVISUJCLYUENJI-QMMMGPOBSA-N 0 1 240.311 -0.791 20 0 BBADMN Cn1cnc(CNC(=O)c2ncn[nH]2)c1 ZINC000890110023 592684612 /nfs/dbraw/zinc/68/46/12/592684612.db2.gz JCIBDTTVFLKLBA-UHFFFAOYSA-N 0 1 206.209 -0.532 20 0 BBADMN Cn1cnc(CNC(=O)c2nc[nH]n2)c1 ZINC000890110023 592684610 /nfs/dbraw/zinc/68/46/10/592684610.db2.gz JCIBDTTVFLKLBA-UHFFFAOYSA-N 0 1 206.209 -0.532 20 0 BBADMN C[C@@H](C(=O)N1CC[C@H](O)[C@@H](F)C1)N(C)C ZINC000890682309 582502645 /nfs/dbraw/zinc/50/26/45/582502645.db2.gz SKGAGXHJCCDGCE-CIUDSAMLSA-N 0 1 218.272 -0.132 20 0 BBADMN C[C@@H](C(=O)N1CC[C@@H](O)[C@H](F)C1)N(C)C ZINC000890682310 582502400 /nfs/dbraw/zinc/50/24/00/582502400.db2.gz SKGAGXHJCCDGCE-DJLDLDEBSA-N 0 1 218.272 -0.132 20 0 BBADMN C[C@H](C(=O)N1CC[C@H](O)[C@H](F)C1)N(C)C ZINC000890682311 582502671 /nfs/dbraw/zinc/50/26/71/582502671.db2.gz SKGAGXHJCCDGCE-HLTSFMKQSA-N 0 1 218.272 -0.132 20 0 BBADMN C[C@H](C(=O)N1CC[C@@H](O)[C@@H](F)C1)N(C)C ZINC000890682312 582502697 /nfs/dbraw/zinc/50/26/97/582502697.db2.gz SKGAGXHJCCDGCE-HRDYMLBCSA-N 0 1 218.272 -0.132 20 0 BBADMN C[C@H](C(=O)N1CC[C@@H](O)[C@H](F)C1)N(C)C ZINC000890682313 582502552 /nfs/dbraw/zinc/50/25/52/582502552.db2.gz SKGAGXHJCCDGCE-IWSPIJDZSA-N 0 1 218.272 -0.132 20 0 BBADMN C[C@H](C(=O)N1CC[C@H](O)[C@@H](F)C1)N(C)C ZINC000890682314 582502715 /nfs/dbraw/zinc/50/27/15/582502715.db2.gz SKGAGXHJCCDGCE-VGMNWLOBSA-N 0 1 218.272 -0.132 20 0 BBADMN C[C@@H](C(=O)N1CC[C@@H](O)[C@@H](F)C1)N(C)C ZINC000890682315 582502662 /nfs/dbraw/zinc/50/26/62/582502662.db2.gz SKGAGXHJCCDGCE-XHNCKOQMSA-N 0 1 218.272 -0.132 20 0 BBADMN C[C@@H](C(=O)N1CC[C@H](O)[C@H](F)C1)N(C)C ZINC000890682316 582502406 /nfs/dbraw/zinc/50/24/06/582502406.db2.gz SKGAGXHJCCDGCE-YIZRAAEISA-N 0 1 218.272 -0.132 20 0 BBADMN Cc1nc(CC(=O)NCC[C@@H](O)C2CC2)n[nH]1 ZINC000890716034 582513846 /nfs/dbraw/zinc/51/38/46/582513846.db2.gz DLBLCBJATJLTHH-SECBINFHSA-N 0 1 238.291 -0.067 20 0 BBADMN Cc1nc(CC(=O)NCC[C@H](O)C2CC2)n[nH]1 ZINC000890716038 582513850 /nfs/dbraw/zinc/51/38/50/582513850.db2.gz DLBLCBJATJLTHH-VIFPVBQESA-N 0 1 238.291 -0.067 20 0 BBADMN O=C(NCC[C@@H](O)C1CC1)c1nc[nH]n1 ZINC000890722929 582516371 /nfs/dbraw/zinc/51/63/71/582516371.db2.gz SKFYOSGEOQNWTH-SSDOTTSWSA-N 0 1 210.237 -0.305 20 0 BBADMN O=C(NCC[C@@H](O)C1CC1)c1ncn[nH]1 ZINC000890722929 582516369 /nfs/dbraw/zinc/51/63/69/582516369.db2.gz SKFYOSGEOQNWTH-SSDOTTSWSA-N 0 1 210.237 -0.305 20 0 BBADMN O=C(NCC[C@H](O)C1CC1)c1nc[nH]n1 ZINC000890722951 582516191 /nfs/dbraw/zinc/51/61/91/582516191.db2.gz SKFYOSGEOQNWTH-ZETCQYMHSA-N 0 1 210.237 -0.305 20 0 BBADMN O=C(NCC[C@H](O)C1CC1)c1ncn[nH]1 ZINC000890722951 582516188 /nfs/dbraw/zinc/51/61/88/582516188.db2.gz SKFYOSGEOQNWTH-ZETCQYMHSA-N 0 1 210.237 -0.305 20 0 BBADMN CN(C)CC(=O)NCC[C@@H](O)C1CC1 ZINC000890724549 582517205 /nfs/dbraw/zinc/51/72/05/582517205.db2.gz BRAZXMSVVFXMCE-SECBINFHSA-N 0 1 200.282 -0.175 20 0 BBADMN CN(C)CC(=O)NCC[C@H](O)C1CC1 ZINC000890724560 582517408 /nfs/dbraw/zinc/51/74/08/582517408.db2.gz BRAZXMSVVFXMCE-VIFPVBQESA-N 0 1 200.282 -0.175 20 0 BBADMN O=C(NCC[C@@H](O)C1CC1)c1cnn[nH]1 ZINC000890728284 582521129 /nfs/dbraw/zinc/52/11/29/582521129.db2.gz WVBDTBRKZAIMQK-MRVPVSSYSA-N 0 1 210.237 -0.305 20 0 BBADMN O=C(NCC[C@H](O)C1CC1)c1cnn[nH]1 ZINC000890728285 582520749 /nfs/dbraw/zinc/52/07/49/582520749.db2.gz WVBDTBRKZAIMQK-QMMMGPOBSA-N 0 1 210.237 -0.305 20 0 BBADMN O=C(Cc1nnc[nH]1)N[C@H]1COC[C@@H]1C1CC1 ZINC000891035938 582598234 /nfs/dbraw/zinc/59/82/34/582598234.db2.gz DJGPDIBYZSVBND-BDAKNGLRSA-N 0 1 236.275 -0.112 20 0 BBADMN O=C(Cc1nnc[nH]1)N[C@@H]1COC[C@H]1C1CC1 ZINC000891035945 582598624 /nfs/dbraw/zinc/59/86/24/582598624.db2.gz DJGPDIBYZSVBND-DTWKUNHWSA-N 0 1 236.275 -0.112 20 0 BBADMN O=C(Cc1nnc[nH]1)N[C@H]1COC[C@H]1C1CC1 ZINC000891035946 582598588 /nfs/dbraw/zinc/59/85/88/582598588.db2.gz DJGPDIBYZSVBND-IUCAKERBSA-N 0 1 236.275 -0.112 20 0 BBADMN O=C(Cc1nnc[nH]1)N[C@@H]1COC[C@@H]1C1CC1 ZINC000891035947 582598567 /nfs/dbraw/zinc/59/85/67/582598567.db2.gz DJGPDIBYZSVBND-RKDXNWHRSA-N 0 1 236.275 -0.112 20 0 BBADMN O=C(N[C@@H]1COC[C@@H]1C1CC1)c1nc[nH]n1 ZINC000891055409 582604641 /nfs/dbraw/zinc/60/46/41/582604641.db2.gz HQRALOOBPSDREC-HTQZYQBOSA-N 0 1 222.248 -0.041 20 0 BBADMN O=C(N[C@@H]1COC[C@@H]1C1CC1)c1ncn[nH]1 ZINC000891055409 582604639 /nfs/dbraw/zinc/60/46/39/582604639.db2.gz HQRALOOBPSDREC-HTQZYQBOSA-N 0 1 222.248 -0.041 20 0 BBADMN O=C(N[C@@H]1COC[C@H]1C1CC1)c1nc[nH]n1 ZINC000891055412 582604582 /nfs/dbraw/zinc/60/45/82/582604582.db2.gz HQRALOOBPSDREC-JGVFFNPUSA-N 0 1 222.248 -0.041 20 0 BBADMN O=C(N[C@@H]1COC[C@H]1C1CC1)c1ncn[nH]1 ZINC000891055412 582604580 /nfs/dbraw/zinc/60/45/80/582604580.db2.gz HQRALOOBPSDREC-JGVFFNPUSA-N 0 1 222.248 -0.041 20 0 BBADMN O=C(N[C@H]1COC[C@@H]1C1CC1)c1nc[nH]n1 ZINC000891055413 582604576 /nfs/dbraw/zinc/60/45/76/582604576.db2.gz HQRALOOBPSDREC-SFYZADRCSA-N 0 1 222.248 -0.041 20 0 BBADMN O=C(N[C@H]1COC[C@@H]1C1CC1)c1ncn[nH]1 ZINC000891055413 582604573 /nfs/dbraw/zinc/60/45/73/582604573.db2.gz HQRALOOBPSDREC-SFYZADRCSA-N 0 1 222.248 -0.041 20 0 BBADMN O=C(N[C@H]1COC[C@H]1C1CC1)c1nc[nH]n1 ZINC000891055414 582604497 /nfs/dbraw/zinc/60/44/97/582604497.db2.gz HQRALOOBPSDREC-YUMQZZPRSA-N 0 1 222.248 -0.041 20 0 BBADMN O=C(N[C@H]1COC[C@H]1C1CC1)c1ncn[nH]1 ZINC000891055414 582604495 /nfs/dbraw/zinc/60/44/95/582604495.db2.gz HQRALOOBPSDREC-YUMQZZPRSA-N 0 1 222.248 -0.041 20 0 BBADMN O=C(N[C@H]1COC[C@@H]1C1CC1)c1cnn[nH]1 ZINC000891070749 643482153 /nfs/dbraw/zinc/48/21/53/643482153.db2.gz SVDYQEZXDJVLMB-APPZFPTMSA-N 0 1 222.248 -0.041 20 0 BBADMN O=C(N[C@H]1COC[C@H]1C1CC1)c1cnn[nH]1 ZINC000891070750 643482280 /nfs/dbraw/zinc/48/22/80/643482280.db2.gz SVDYQEZXDJVLMB-CBAPKCEASA-N 0 1 222.248 -0.041 20 0 BBADMN O=C(N[C@@H]1COC[C@H]1C1CC1)c1cnn[nH]1 ZINC000891070751 643482919 /nfs/dbraw/zinc/48/29/19/643482919.db2.gz SVDYQEZXDJVLMB-IONNQARKSA-N 0 1 222.248 -0.041 20 0 BBADMN O=C(N[C@@H]1COC[C@@H]1C1CC1)c1cnn[nH]1 ZINC000891070752 643482461 /nfs/dbraw/zinc/48/24/61/643482461.db2.gz SVDYQEZXDJVLMB-VXNVDRBHSA-N 0 1 222.248 -0.041 20 0 BBADMN COC(=O)[C@@H](F)CNC(=O)NCCN1CCC1 ZINC000891273199 582651199 /nfs/dbraw/zinc/65/11/99/582651199.db2.gz IHVLBLUZDHSXLN-QMMMGPOBSA-N 0 1 247.270 -0.498 20 0 BBADMN O=C(Cc1cnc[nH]1)N=S1(=O)CCOCC1 ZINC000891374775 582674292 /nfs/dbraw/zinc/67/42/92/582674292.db2.gz SOINFITZEBFDSW-UHFFFAOYSA-N 0 1 243.288 -0.023 20 0 BBADMN COCCCNC(=O)NCc1n[nH]c(C)n1 ZINC000891431987 631239417 /nfs/dbraw/zinc/23/94/17/631239417.db2.gz XGNGBNZLAXFNMJ-UHFFFAOYSA-N 0 1 227.268 -0.051 20 0 BBADMN OCCN1CCN(c2cccc3nncn32)CC1 ZINC000891434705 631245169 /nfs/dbraw/zinc/24/51/69/631245169.db2.gz XUZMPUWVFQPXDF-UHFFFAOYSA-N 0 1 247.302 -0.156 20 0 BBADMN CC(=O)OC[C@@H](C)N[C@H]1CCS(=O)(=O)C1 ZINC000891435718 582684569 /nfs/dbraw/zinc/68/45/69/582684569.db2.gz HOKGINVHKYOCHW-APPZFPTMSA-N 0 1 235.305 -0.285 20 0 BBADMN CC(=O)OC[C@H](C)N[C@H]1CCS(=O)(=O)C1 ZINC000891435719 582684517 /nfs/dbraw/zinc/68/45/17/582684517.db2.gz HOKGINVHKYOCHW-CBAPKCEASA-N 0 1 235.305 -0.285 20 0 BBADMN CC(=O)OC[C@H](C)N[C@@H]1CCS(=O)(=O)C1 ZINC000891435720 582684577 /nfs/dbraw/zinc/68/45/77/582684577.db2.gz HOKGINVHKYOCHW-IONNQARKSA-N 0 1 235.305 -0.285 20 0 BBADMN CC(=O)OC[C@@H](C)N[C@@H]1CCS(=O)(=O)C1 ZINC000891435721 582684595 /nfs/dbraw/zinc/68/45/95/582684595.db2.gz HOKGINVHKYOCHW-VXNVDRBHSA-N 0 1 235.305 -0.285 20 0 BBADMN COC[C@H](C)NC(=O)NCc1n[nH]c(C)n1 ZINC000891467110 711531469 /nfs/dbraw/zinc/53/14/69/711531469.db2.gz CUWUMRMNOVVDKM-LURJTMIESA-N 0 1 227.268 -0.053 20 0 BBADMN COC[C@@H](C)NC(=O)NCc1n[nH]c(C)n1 ZINC000891467111 711531699 /nfs/dbraw/zinc/53/16/99/711531699.db2.gz CUWUMRMNOVVDKM-ZCFIWIBFSA-N 0 1 227.268 -0.053 20 0 BBADMN Cc1cc(N)nc(N2CCNC(=O)C2)n1 ZINC000891472556 631373700 /nfs/dbraw/zinc/37/37/00/631373700.db2.gz SWKTXBQELNOFDW-UHFFFAOYSA-N 0 1 207.237 -0.697 20 0 BBADMN Cc1cc(N)nc(NCC(=O)N(C)C)n1 ZINC000891545561 582695811 /nfs/dbraw/zinc/69/58/11/582695811.db2.gz NRLRTHBKDDUCMZ-UHFFFAOYSA-N 0 1 209.253 -0.133 20 0 BBADMN CCNC(=O)CNc1nc(C)cc(N)n1 ZINC000891556456 582696685 /nfs/dbraw/zinc/69/66/85/582696685.db2.gz XYBWYCOMNIFVJP-UHFFFAOYSA-N 0 1 209.253 -0.085 20 0 BBADMN C[C@@H]1CCC[N@H+]1CCNC(=O)NCCC(N)=O ZINC000891777887 582719415 /nfs/dbraw/zinc/71/94/15/582719415.db2.gz IIHNYBDUOOZWPB-SECBINFHSA-N 0 1 242.323 -0.355 20 0 BBADMN C[C@H]1CCC[N@H+]1CCNC(=O)NCCC(N)=O ZINC000891777888 582719707 /nfs/dbraw/zinc/71/97/07/582719707.db2.gz IIHNYBDUOOZWPB-VIFPVBQESA-N 0 1 242.323 -0.355 20 0 BBADMN CCOCCNC(=O)NCc1n[nH]c(C)n1 ZINC000891779649 582719360 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245.323 -0.664 20 0 BBADMN CCN(CCC(N)=O)Cc1n[nH]c(C)n1 ZINC000932480073 643306169 /nfs/dbraw/zinc/30/61/69/643306169.db2.gz RJHIZJIZBDSAIV-UHFFFAOYSA-N 0 1 211.269 -0.190 20 0 BBADMN CCN(CCC(N)=O)CC(=O)N1CCOCC1 ZINC000932480520 640550039 /nfs/dbraw/zinc/55/00/39/640550039.db2.gz BAJYTIPCQZYFMP-UHFFFAOYSA-N 0 1 243.307 -0.958 20 0 BBADMN CCN(C)C(=O)CN(CC)CCC(N)=O ZINC000932480560 640547739 /nfs/dbraw/zinc/54/77/39/640547739.db2.gz LJEQNOTZZKGVID-UHFFFAOYSA-N 0 1 215.297 -0.338 20 0 BBADMN CCN(CCCS(C)(=O)=O)CCC(N)=O ZINC000932481490 640531462 /nfs/dbraw/zinc/53/14/62/640531462.db2.gz XIGJZFAHPXOERH-UHFFFAOYSA-N 0 1 236.337 -0.382 20 0 BBADMN CCN(CCC(N)=O)CC(=O)N1CCC1 ZINC000932481901 640548734 /nfs/dbraw/zinc/54/87/34/640548734.db2.gz FYPZPWWJAVPNMJ-UHFFFAOYSA-N 0 1 213.281 -0.584 20 0 BBADMN CCN(CCC(N)=O)CC(=O)NCCCOC ZINC000932482506 640550072 /nfs/dbraw/zinc/55/00/72/640550072.db2.gz VQLGBQADYFTEFX-UHFFFAOYSA-N 0 1 245.323 -0.664 20 0 BBADMN CCN(CCC(N)=O)CC(=O)NC1CC1 ZINC000932482507 640548843 /nfs/dbraw/zinc/54/88/43/640548843.db2.gz VRVLTDPQSNDKJD-UHFFFAOYSA-N 0 1 213.281 -0.538 20 0 BBADMN CCN(CCC(N)=O)CC(=O)NCC(C)C ZINC000932484013 640552096 /nfs/dbraw/zinc/55/20/96/640552096.db2.gz QZXIQSDEMWJZCE-UHFFFAOYSA-N 0 1 229.324 -0.044 20 0 BBADMN CCN1OC[C@H](N[C@H]2COC[C@@H]2C)C1=O ZINC000932492661 640555321 /nfs/dbraw/zinc/55/53/21/640555321.db2.gz SMCSPPPEXKPOGN-CIUDSAMLSA-N 0 1 214.265 -0.227 20 0 BBADMN CCN1OC[C@H](N[C@@H]2COC[C@H]2C)C1=O ZINC000932492662 640555735 /nfs/dbraw/zinc/55/57/35/640555735.db2.gz SMCSPPPEXKPOGN-HLTSFMKQSA-N 0 1 214.265 -0.227 20 0 BBADMN CCN1OC[C@H](N[C@H]2COC[C@H]2C)C1=O ZINC000932492663 640556775 /nfs/dbraw/zinc/55/67/75/640556775.db2.gz SMCSPPPEXKPOGN-VGMNWLOBSA-N 0 1 214.265 -0.227 20 0 BBADMN CCN1OC[C@H](N[C@@H]2COC[C@@H]2C)C1=O ZINC000932492664 640556699 /nfs/dbraw/zinc/55/66/99/640556699.db2.gz SMCSPPPEXKPOGN-YIZRAAEISA-N 0 1 214.265 -0.227 20 0 BBADMN c1cc2n(c1)CCN(CCn1cnnn1)C2 ZINC000932525507 640564278 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