smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(NCCO)c1ccnc(-n2cccn2)c1 ZINC000159362805 322965637 /nfs/dbraw/zinc/96/56/37/322965637.db2.gz WKWQDRCRVCCUFJ-UHFFFAOYSA-N 0 0 232.243 -0.011 20 70 BBIDRN NS(=O)(=O)N[C@H]1CCN(c2ccccn2)C1 ZINC000159366531 384325121 /nfs/dbraw/zinc/32/51/21/384325121.db2.gz PQWNOSMSBUTKFD-QMMMGPOBSA-N 0 0 242.304 -0.547 20 70 BBIDRN NS(=O)(=O)N[C@@H]1CCN(c2ccccn2)C1 ZINC000159366683 384324656 /nfs/dbraw/zinc/32/46/56/384324656.db2.gz PQWNOSMSBUTKFD-MRVPVSSYSA-N 0 0 242.304 -0.547 20 70 BBIDRN COC(=O)C1(N(C)CC(N)=O)CCCC1 ZINC000159368913 345427805 /nfs/dbraw/zinc/42/78/05/345427805.db2.gz VUQLIIHMGFFREN-UHFFFAOYSA-N 0 0 214.265 -0.111 20 70 BBIDRN Cc1c(C(N)=O)cnc2c1c(=O)n(C)c(=O)n2C ZINC000159369133 206090538 /nfs/dbraw/zinc/09/05/38/206090538.db2.gz MTQSZWQGSGPSQA-UHFFFAOYSA-N 0 0 248.242 -0.960 20 70 BBIDRN COC(=O)N1CCC[C@H](C(=O)NCCO)C1 ZINC000159386456 322966012 /nfs/dbraw/zinc/96/60/12/322966012.db2.gz AKWLKPCAZDJNTC-QMMMGPOBSA-N 0 0 230.264 -0.427 20 70 BBIDRN COC(=O)N1CCC[C@@H](C(=O)NCCO)C1 ZINC000159386576 322965971 /nfs/dbraw/zinc/96/59/71/322965971.db2.gz AKWLKPCAZDJNTC-MRVPVSSYSA-N 0 0 230.264 -0.427 20 70 BBIDRN O=C(NC[C@@H]1COCCO1)N[C@@H]1CCOC1 ZINC000159387968 345429900 /nfs/dbraw/zinc/42/99/00/345429900.db2.gz VTXODTXOBHREDE-RKDXNWHRSA-N 0 0 230.264 -0.510 20 70 BBIDRN O=C(NC[C@@H]1COCCO1)N[C@H]1CCOC1 ZINC000159388081 345429529 /nfs/dbraw/zinc/42/95/29/345429529.db2.gz VTXODTXOBHREDE-DTWKUNHWSA-N 0 0 230.264 -0.510 20 70 BBIDRN O=C(NC[C@H]1COCCO1)N[C@@H]1CCOC1 ZINC000159388216 345429544 /nfs/dbraw/zinc/42/95/44/345429544.db2.gz VTXODTXOBHREDE-BDAKNGLRSA-N 0 0 230.264 -0.510 20 70 BBIDRN O=C(NC[C@H]1COCCO1)N[C@H]1CCOC1 ZINC000159388332 134772827 /nfs/dbraw/zinc/77/28/27/134772827.db2.gz VTXODTXOBHREDE-IUCAKERBSA-N 0 0 230.264 -0.510 20 70 BBIDRN CCNC(=O)CN(CC)C(=O)N[C@@H]1CCOC1 ZINC000159389514 388012168 /nfs/dbraw/zinc/01/21/68/388012168.db2.gz WFBNWEOQTYHCSD-SECBINFHSA-N 0 0 243.307 -0.057 20 70 BBIDRN CCNC(=O)CN(CC)C(=O)N[C@H]1CCOC1 ZINC000159389658 201680516 /nfs/dbraw/zinc/68/05/16/201680516.db2.gz WFBNWEOQTYHCSD-VIFPVBQESA-N 0 0 243.307 -0.057 20 70 BBIDRN CCS(=O)(=O)N(C)CCCC(=O)NC ZINC000159391629 323075194 /nfs/dbraw/zinc/07/51/94/323075194.db2.gz AGESYIKLQDWTLQ-UHFFFAOYSA-N 0 0 222.310 -0.206 20 70 BBIDRN COCCOCCNC(=O)N[C@@H]1CCOC1 ZINC000159394677 388011695 /nfs/dbraw/zinc/01/16/95/388011695.db2.gz KHPOVFBUEGUBIQ-SECBINFHSA-N 0 0 232.280 -0.263 20 70 BBIDRN COCCOCCNC(=O)N[C@H]1CCOC1 ZINC000159394814 385966119 /nfs/dbraw/zinc/96/61/19/385966119.db2.gz KHPOVFBUEGUBIQ-VIFPVBQESA-N 0 0 232.280 -0.263 20 70 BBIDRN CCOCC(=O)NC[C@H](O)COCC1CC1 ZINC000159419279 535416740 /nfs/dbraw/zinc/41/67/40/535416740.db2.gz WRRZQUBZJKYVOU-JTQLQIEISA-N 0 0 231.292 -0.073 20 70 BBIDRN CCOCC(=O)NC[C@@H](O)COCC1CC1 ZINC000159419402 535415678 /nfs/dbraw/zinc/41/56/78/535415678.db2.gz WRRZQUBZJKYVOU-SNVBAGLBSA-N 0 0 231.292 -0.073 20 70 BBIDRN CN(C)C(=O)CCNC(=O)N[C@@H]1CCOC1 ZINC000159421195 345432982 /nfs/dbraw/zinc/43/29/82/345432982.db2.gz LHUNTRZPPIYZHV-MRVPVSSYSA-N 0 0 229.280 -0.447 20 70 BBIDRN CN(C)C(=O)CCNC(=O)N[C@H]1CCOC1 ZINC000159421327 345432642 /nfs/dbraw/zinc/43/26/42/345432642.db2.gz LHUNTRZPPIYZHV-QMMMGPOBSA-N 0 0 229.280 -0.447 20 70 BBIDRN O=C(NCCn1cccn1)N[C@@H]1CCOC1 ZINC000159421473 201680201 /nfs/dbraw/zinc/68/02/01/201680201.db2.gz IZMCZLOTQRMCCA-SECBINFHSA-N 0 0 224.264 -0.029 20 70 BBIDRN O=C(NCCn1cccn1)N[C@H]1CCOC1 ZINC000159421565 388014098 /nfs/dbraw/zinc/01/40/98/388014098.db2.gz IZMCZLOTQRMCCA-VIFPVBQESA-N 0 0 224.264 -0.029 20 70 BBIDRN CC(C)NC(=O)CCCC(=O)NCCO ZINC000159422154 384126510 /nfs/dbraw/zinc/12/65/10/384126510.db2.gz ATRZGFSKELWLJQ-UHFFFAOYSA-N 0 0 216.281 -0.210 20 70 BBIDRN COC(=O)N(C)CCCC(=O)NCCO ZINC000159422292 384129151 /nfs/dbraw/zinc/12/91/51/384129151.db2.gz VUMCJIPPJIIJPO-UHFFFAOYSA-N 0 0 218.253 -0.427 20 70 BBIDRN C[C@H](Oc1cccnc1)C(=O)NCCO ZINC000159423508 177024914 /nfs/dbraw/zinc/02/49/14/177024914.db2.gz OXDQHGUWZJYIKR-QMMMGPOBSA-N 0 0 210.233 -0.043 20 70 BBIDRN C[C@@H](Oc1cccnc1)C(=O)NCCO ZINC000159423616 176006235 /nfs/dbraw/zinc/00/62/35/176006235.db2.gz OXDQHGUWZJYIKR-MRVPVSSYSA-N 0 0 210.233 -0.043 20 70 BBIDRN CC[C@@H](C(=O)NCCO)N1CCCC1=O ZINC000159425245 322968124 /nfs/dbraw/zinc/96/81/24/322968124.db2.gz KNXYTKXHPIYBSP-QMMMGPOBSA-N 0 0 214.265 -0.504 20 70 BBIDRN CC[C@H](C(=O)NCCO)N1CCCC1=O ZINC000159425378 384133493 /nfs/dbraw/zinc/13/34/93/384133493.db2.gz KNXYTKXHPIYBSP-MRVPVSSYSA-N 0 0 214.265 -0.504 20 70 BBIDRN CN(C)c1ccnc(C(=O)NCCO)c1 ZINC000159433524 188334377 /nfs/dbraw/zinc/33/43/77/188334377.db2.gz NOLDFNXPAQIYKK-UHFFFAOYSA-N 0 0 209.249 -0.130 20 70 BBIDRN Cc1ccn2ncc(C(=O)NCCO)c2n1 ZINC000159434262 384331495 /nfs/dbraw/zinc/33/14/95/384331495.db2.gz UTHGPDWTVOCDPM-UHFFFAOYSA-N 0 0 220.232 -0.240 20 70 BBIDRN CNC(=O)CCCN(C)S(=O)(=O)C1CC1 ZINC000159435661 345435303 /nfs/dbraw/zinc/43/53/03/345435303.db2.gz BMVUABWAQJKARC-UHFFFAOYSA-N 0 0 234.321 -0.063 20 70 BBIDRN CC(=O)NCCNC(=O)N[C@@H]1CCOC1 ZINC000159437111 361235939 /nfs/dbraw/zinc/23/59/39/361235939.db2.gz HQRATIGTLXBJDL-MRVPVSSYSA-N 0 0 215.253 -0.789 20 70 BBIDRN CC(=O)NCCNC(=O)N[C@H]1CCOC1 ZINC000159437232 361235976 /nfs/dbraw/zinc/23/59/76/361235976.db2.gz HQRATIGTLXBJDL-QMMMGPOBSA-N 0 0 215.253 -0.789 20 70 BBIDRN O=C(CNC(=O)N[C@@H]1CCOC1)NC1CC1 ZINC000159441814 345436016 /nfs/dbraw/zinc/43/60/16/345436016.db2.gz LGNZXQYKIFMBSZ-MRVPVSSYSA-N 0 0 227.264 -0.647 20 70 BBIDRN O=C(CNC(=O)N[C@H]1CCOC1)NC1CC1 ZINC000159441924 345436072 /nfs/dbraw/zinc/43/60/72/345436072.db2.gz LGNZXQYKIFMBSZ-QMMMGPOBSA-N 0 0 227.264 -0.647 20 70 BBIDRN O=C(NC1CC1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159446068 350228023 /nfs/dbraw/zinc/22/80/23/350228023.db2.gz KIAOABPBFAKISH-AOOOYVTPSA-N 0 0 237.303 -0.382 20 70 BBIDRN O=C(N[C@@H]1CCOC1)N[C@@H]1CCOC1 ZINC000159448709 386041854 /nfs/dbraw/zinc/04/18/54/386041854.db2.gz GSGYSQUJPINZJL-HTQZYQBOSA-N 0 0 200.238 -0.137 20 70 BBIDRN O=C(N[C@@H]1CCOC1)N[C@H]1CCOC1 ZINC000159448836 386041328 /nfs/dbraw/zinc/04/13/28/386041328.db2.gz GSGYSQUJPINZJL-OCAPTIKFSA-N 0 0 200.238 -0.137 20 70 BBIDRN O=C(N[C@H]1CCOC1)N[C@H]1CCOC1 ZINC000159448982 397946657 /nfs/dbraw/zinc/94/66/57/397946657.db2.gz GSGYSQUJPINZJL-YUMQZZPRSA-N 0 0 200.238 -0.137 20 70 BBIDRN COC[C@H](O)CNC(=O)c1cc(OC)ccn1 ZINC000159453640 541494383 /nfs/dbraw/zinc/49/43/83/541494383.db2.gz GEDDOWCHIJIPEM-MRVPVSSYSA-N 0 0 240.259 -0.173 20 70 BBIDRN COC[C@@H](O)CNC(=O)c1cc(OC)ccn1 ZINC000159453791 541493769 /nfs/dbraw/zinc/49/37/69/541493769.db2.gz GEDDOWCHIJIPEM-QMMMGPOBSA-N 0 0 240.259 -0.173 20 70 BBIDRN CC(C)[C@@H](CO)NC(=O)[C@@H](C)S(C)(=O)=O ZINC000159455596 361237435 /nfs/dbraw/zinc/23/74/35/361237435.db2.gz MHDZKYNGABXKNH-HTQZYQBOSA-N 0 0 237.321 -0.447 20 70 BBIDRN CC(C)[C@@H](CO)NC(=O)[C@H](C)S(C)(=O)=O ZINC000159455758 361237384 /nfs/dbraw/zinc/23/73/84/361237384.db2.gz MHDZKYNGABXKNH-JGVFFNPUSA-N 0 0 237.321 -0.447 20 70 BBIDRN COc1n[nH]c(NC(=O)c2ccnnc2)n1 ZINC000159459232 345437490 /nfs/dbraw/zinc/43/74/90/345437490.db2.gz DTHKLQPFEUCQOZ-UHFFFAOYSA-N 0 0 220.192 -0.144 20 70 BBIDRN CCNC(=O)CNC(=O)N[C@@H]1CCOC1 ZINC000159459735 361237154 /nfs/dbraw/zinc/23/71/54/361237154.db2.gz JPKIXXGWNRQNBW-SSDOTTSWSA-N 0 0 215.253 -0.789 20 70 BBIDRN CCNC(=O)CNC(=O)N[C@H]1CCOC1 ZINC000159459853 350207020 /nfs/dbraw/zinc/20/70/20/350207020.db2.gz JPKIXXGWNRQNBW-ZETCQYMHSA-N 0 0 215.253 -0.789 20 70 BBIDRN O=C(NCCO)c1ccc2c(c1)C(=O)NC2=O ZINC000159470376 322969962 /nfs/dbraw/zinc/96/99/62/322969962.db2.gz LOEPAINSZCQBCR-UHFFFAOYSA-N 0 0 234.211 -0.708 20 70 BBIDRN NS(=O)(=O)N1CCC(Cn2ccnn2)CC1 ZINC000159482035 384335425 /nfs/dbraw/zinc/33/54/25/384335425.db2.gz CWOKJGWGTNNNMF-UHFFFAOYSA-N 0 0 245.308 -0.806 20 70 BBIDRN CC(C)CC(=O)NCCC(=O)NCCO ZINC000159484843 322971174 /nfs/dbraw/zinc/97/11/74/322971174.db2.gz JLLAGHHCWKHBFF-UHFFFAOYSA-N 0 0 216.281 -0.353 20 70 BBIDRN COC[C@H](NC(=O)NCCO)C1CC1 ZINC000159487566 134776438 /nfs/dbraw/zinc/77/64/38/134776438.db2.gz CJUVOIGVEAFHHW-QMMMGPOBSA-N 0 0 202.254 -0.297 20 70 BBIDRN COC[C@@H](NC(=O)NCCO)C1CC1 ZINC000159487715 134776614 /nfs/dbraw/zinc/77/66/14/134776614.db2.gz CJUVOIGVEAFHHW-MRVPVSSYSA-N 0 0 202.254 -0.297 20 70 BBIDRN O=C(NC[C@H](O)CO)NCC(F)(F)F ZINC000159489408 350221596 /nfs/dbraw/zinc/22/15/96/350221596.db2.gz ZTWCRTIHKKUVJY-BYPYZUCNSA-N 0 0 216.159 -0.799 20 70 BBIDRN O=C(NC[C@@H](O)CO)NCC(F)(F)F ZINC000159489513 361239470 /nfs/dbraw/zinc/23/94/70/361239470.db2.gz ZTWCRTIHKKUVJY-SCSAIBSYSA-N 0 0 216.159 -0.799 20 70 BBIDRN C[C@H](O)C[N@H+](C)[C@@H](C)C(=O)NC[C@@H]1CCCO1 ZINC000159497954 345438535 /nfs/dbraw/zinc/43/85/35/345438535.db2.gz SYMYFJSQRZEJQB-DCAQKATOSA-N 0 0 244.335 -0.017 20 70 BBIDRN CCCCCS(=O)(=O)CC(=O)NCCO ZINC000159498750 384492775 /nfs/dbraw/zinc/49/27/75/384492775.db2.gz GNBGUIKIBJTYMM-UHFFFAOYSA-N 0 0 237.321 -0.300 20 70 BBIDRN CCCCOCC(=O)NC[C@H](O)COC ZINC000159506828 345438794 /nfs/dbraw/zinc/43/87/94/345438794.db2.gz KYGAIPLVDUHVSC-VIFPVBQESA-N 0 0 219.281 -0.073 20 70 BBIDRN CCCCOCC(=O)NC[C@@H](O)COC ZINC000159506946 345439325 /nfs/dbraw/zinc/43/93/25/345439325.db2.gz KYGAIPLVDUHVSC-SECBINFHSA-N 0 0 219.281 -0.073 20 70 BBIDRN COC[C@@H](O)CNC(=O)[C@H](C)SC ZINC000159507703 224518592 /nfs/dbraw/zinc/51/85/92/224518592.db2.gz OGJVYQMHLVOEDV-BQBZGAKWSA-N 0 0 207.295 -0.139 20 70 BBIDRN COC[C@@H](O)CNC(=O)[C@@H](C)SC ZINC000159507846 388017855 /nfs/dbraw/zinc/01/78/55/388017855.db2.gz OGJVYQMHLVOEDV-RQJHMYQMSA-N 0 0 207.295 -0.139 20 70 BBIDRN COC[C@H](O)CNC(=O)[C@H](C)SC ZINC000159507966 361242711 /nfs/dbraw/zinc/24/27/11/361242711.db2.gz OGJVYQMHLVOEDV-NKWVEPMBSA-N 0 0 207.295 -0.139 20 70 BBIDRN COC[C@H](O)CNC(=O)[C@@H](C)SC ZINC000159508089 134776634 /nfs/dbraw/zinc/77/66/34/134776634.db2.gz OGJVYQMHLVOEDV-RNFRBKRXSA-N 0 0 207.295 -0.139 20 70 BBIDRN CNC(=O)CCNC(=O)N[C@@H]1CCOC1 ZINC000159536705 361250215 /nfs/dbraw/zinc/25/02/15/361250215.db2.gz ZNCWBYZPYJWXAL-SSDOTTSWSA-N 0 0 215.253 -0.789 20 70 BBIDRN CNC(=O)CCNC(=O)N[C@H]1CCOC1 ZINC000159536791 361249986 /nfs/dbraw/zinc/24/99/86/361249986.db2.gz ZNCWBYZPYJWXAL-ZETCQYMHSA-N 0 0 215.253 -0.789 20 70 BBIDRN CNC(=O)CNC(=O)C1=C(C)OCCC1 ZINC000159545361 173275223 /nfs/dbraw/zinc/27/52/23/173275223.db2.gz PCCMYSFYBAHBLB-UHFFFAOYSA-N 0 0 212.249 -0.067 20 70 BBIDRN CNC(=O)CNC(=O)C(C)(C)COC ZINC000159546688 134779375 /nfs/dbraw/zinc/77/93/75/134779375.db2.gz LLZPNHYLLLWHFW-UHFFFAOYSA-N 0 0 202.254 -0.479 20 70 BBIDRN C[C@@H](CC(N)=O)NC(=O)N[C@@H]1CCOC1 ZINC000159553104 388021430 /nfs/dbraw/zinc/02/14/30/388021430.db2.gz UMTSOMMIHWSEFK-NKWVEPMBSA-N 0 0 215.253 -0.662 20 70 BBIDRN C[C@H](CC(N)=O)NC(=O)N[C@@H]1CCOC1 ZINC000159553233 388021330 /nfs/dbraw/zinc/02/13/30/388021330.db2.gz UMTSOMMIHWSEFK-RNFRBKRXSA-N 0 0 215.253 -0.662 20 70 BBIDRN C[C@@H](CC(N)=O)NC(=O)N[C@H]1CCOC1 ZINC000159553382 388021371 /nfs/dbraw/zinc/02/13/71/388021371.db2.gz UMTSOMMIHWSEFK-BQBZGAKWSA-N 0 0 215.253 -0.662 20 70 BBIDRN C[C@H](CC(N)=O)NC(=O)N[C@H]1CCOC1 ZINC000159553520 176608049 /nfs/dbraw/zinc/60/80/49/176608049.db2.gz UMTSOMMIHWSEFK-RQJHMYQMSA-N 0 0 215.253 -0.662 20 70 BBIDRN O=C(NCC1(O)CCC1)N[C@@H]1CCOC1 ZINC000159556127 361254822 /nfs/dbraw/zinc/25/48/22/361254822.db2.gz KSVZNVDGNRDEQP-MRVPVSSYSA-N 0 0 214.265 -0.011 20 70 BBIDRN O=C(NCC1(O)CCC1)N[C@H]1CCOC1 ZINC000159556244 361254444 /nfs/dbraw/zinc/25/44/44/361254444.db2.gz KSVZNVDGNRDEQP-QMMMGPOBSA-N 0 0 214.265 -0.011 20 70 BBIDRN CCOC(=O)[C@H](N)C(=O)N(C)CC1CC1 ZINC000159558074 350892898 /nfs/dbraw/zinc/89/28/98/350892898.db2.gz LJQOLJFUGLGOGA-MRVPVSSYSA-N 0 0 214.265 -0.255 20 70 BBIDRN CCOC(=O)[C@@H](N)C(=O)N(C)CC1CC1 ZINC000159558217 350892771 /nfs/dbraw/zinc/89/27/71/350892771.db2.gz LJQOLJFUGLGOGA-QMMMGPOBSA-N 0 0 214.265 -0.255 20 70 BBIDRN CC(C)OCCNC(=O)NCC(=O)N(C)C ZINC000159567837 538877561 /nfs/dbraw/zinc/87/75/61/538877561.db2.gz DDEQMOBGLFJSRP-UHFFFAOYSA-N 0 0 231.296 -0.201 20 70 BBIDRN CN1CCN(C(=O)N[C@@H]2CCOC2)CC1 ZINC000159567875 361257043 /nfs/dbraw/zinc/25/70/43/361257043.db2.gz MTXVYDQQWFOSSM-SECBINFHSA-N 0 0 213.281 -0.268 20 70 BBIDRN CN1CCN(C(=O)N[C@H]2CCOC2)CC1 ZINC000159568013 345443807 /nfs/dbraw/zinc/44/38/07/345443807.db2.gz MTXVYDQQWFOSSM-VIFPVBQESA-N 0 0 213.281 -0.268 20 70 BBIDRN Cc1nc(C(=O)NC[C@@H](C)CO)c(=O)[nH]c1C ZINC000159583844 323039387 /nfs/dbraw/zinc/03/93/87/323039387.db2.gz KDIGTILRDWHETC-ZCFIWIBFSA-N 0 0 239.275 -0.255 20 70 BBIDRN Cc1nc(C(=O)NC[C@H](C)CO)c(=O)[nH]c1C ZINC000159583918 323039316 /nfs/dbraw/zinc/03/93/16/323039316.db2.gz KDIGTILRDWHETC-LURJTMIESA-N 0 0 239.275 -0.255 20 70 BBIDRN C[C@@H]1CCO[C@@H]1C(=O)NC[C@@H]1CN(C)CCO1 ZINC000159586348 136214482 /nfs/dbraw/zinc/21/44/82/136214482.db2.gz RNWXXECHAHSNOA-MXWKQRLJSA-N 0 0 242.319 -0.142 20 70 BBIDRN C[C@@H]1CCO[C@H]1C(=O)NC[C@@H]1CN(C)CCO1 ZINC000159586629 136214446 /nfs/dbraw/zinc/21/44/46/136214446.db2.gz RNWXXECHAHSNOA-GMTAPVOTSA-N 0 0 242.319 -0.142 20 70 BBIDRN CCNC(=O)Cn1cnn(C(C)(C)C)c1=O ZINC000159619496 345448698 /nfs/dbraw/zinc/44/86/98/345448698.db2.gz YURYKIBNBXNRTF-UHFFFAOYSA-N 0 0 226.280 -0.064 20 70 BBIDRN Cn1ccnc(NCCn2ccnn2)c1=O ZINC000159621969 585025819 /nfs/dbraw/zinc/02/58/19/585025819.db2.gz LRCYUVGWUGKIBD-UHFFFAOYSA-N 0 0 220.236 -0.516 20 70 BBIDRN COC(=O)Cn1cnn(C(C)(C)C)c1=O ZINC000159622526 345449167 /nfs/dbraw/zinc/44/91/67/345449167.db2.gz ANGLXDFEJFXBRE-UHFFFAOYSA-N 0 0 213.237 -0.027 20 70 BBIDRN CCCS(=O)(=O)NCCn1ccnn1 ZINC000159650121 538878495 /nfs/dbraw/zinc/87/84/95/538878495.db2.gz IJWHDJYNIIAAEU-UHFFFAOYSA-N 0 0 218.282 -0.393 20 70 BBIDRN Cc1n[nH]cc1C(=O)NCCn1ccnn1 ZINC000159655098 585025832 /nfs/dbraw/zinc/02/58/32/585025832.db2.gz NKCFYZKYOFCLHL-UHFFFAOYSA-N 0 0 220.236 -0.260 20 70 BBIDRN CC(C)CN(CC(N)=O)C(=O)[C@@H]1CCOC1 ZINC000159676915 384347412 /nfs/dbraw/zinc/34/74/12/384347412.db2.gz VTLZDPPTNHEYRH-SECBINFHSA-N 0 0 228.292 -0.007 20 70 BBIDRN CC(C)CN(CC(N)=O)C(=O)[C@H]1CCOC1 ZINC000159677020 384347196 /nfs/dbraw/zinc/34/71/96/384347196.db2.gz VTLZDPPTNHEYRH-VIFPVBQESA-N 0 0 228.292 -0.007 20 70 BBIDRN CO[C@H](C)C(=O)N(CC(N)=O)CC(C)C ZINC000159679420 345467902 /nfs/dbraw/zinc/46/79/02/345467902.db2.gz UMUDNIGSXKBWLZ-MRVPVSSYSA-N 0 0 216.281 -0.009 20 70 BBIDRN CO[C@@H](C)C(=O)N(CC(N)=O)CC(C)C ZINC000159679561 361280698 /nfs/dbraw/zinc/28/06/98/361280698.db2.gz UMUDNIGSXKBWLZ-QMMMGPOBSA-N 0 0 216.281 -0.009 20 70 BBIDRN O=C(Cn1cnnn1)NCC1(C2CC2)CC1 ZINC000159680252 134785362 /nfs/dbraw/zinc/78/53/62/134785362.db2.gz PZZPIKJULQZCGW-UHFFFAOYSA-N 0 0 221.264 -0.021 20 70 BBIDRN COC(=O)CNC(=O)c1cnc2c(c1)ncn2C ZINC000159685100 345466623 /nfs/dbraw/zinc/46/66/23/345466623.db2.gz VFYSFJHADBMUQG-UHFFFAOYSA-N 0 0 248.242 -0.129 20 70 BBIDRN CCSCCN1CCN(CC(N)=O)CC1 ZINC000159696397 323044095 /nfs/dbraw/zinc/04/40/95/323044095.db2.gz DPKQDIQQBMCSKF-UHFFFAOYSA-N 0 0 231.365 -0.158 20 70 BBIDRN NS(=O)(=O)NCCC(=O)N1CCCCC1 ZINC000159696596 388027223 /nfs/dbraw/zinc/02/72/23/388027223.db2.gz TWRBAFCBPHDLOF-UHFFFAOYSA-N 0 0 235.309 -0.818 20 70 BBIDRN COCCN(C)S(=O)(=O)NC[C@H](C)CO ZINC000159698694 388026753 /nfs/dbraw/zinc/02/67/53/388026753.db2.gz BSNUFBMGMPEXAW-QMMMGPOBSA-N 0 0 240.325 -0.973 20 70 BBIDRN COCCN(C)S(=O)(=O)NC[C@@H](C)CO ZINC000159698813 388027491 /nfs/dbraw/zinc/02/74/91/388027491.db2.gz BSNUFBMGMPEXAW-MRVPVSSYSA-N 0 0 240.325 -0.973 20 70 BBIDRN CCCN(C)S(=O)(=O)NC[C@@H](C)CO ZINC000159712185 385723602 /nfs/dbraw/zinc/72/36/02/385723602.db2.gz VFYPUFIPVMFLCK-MRVPVSSYSA-N 0 0 224.326 -0.209 20 70 BBIDRN CCCN(C)S(=O)(=O)NC[C@H](C)CO ZINC000159712310 201687794 /nfs/dbraw/zinc/68/77/94/201687794.db2.gz VFYPUFIPVMFLCK-QMMMGPOBSA-N 0 0 224.326 -0.209 20 70 BBIDRN COC[C@H](C)S(=O)(=O)NC[C@H](C)CO ZINC000159718053 219857811 /nfs/dbraw/zinc/85/78/11/219857811.db2.gz WHTLWPZPJSPABB-YUMQZZPRSA-N 0 0 225.310 -0.431 20 70 BBIDRN COC[C@H](C)S(=O)(=O)NC[C@@H](C)CO ZINC000159718192 201687259 /nfs/dbraw/zinc/68/72/59/201687259.db2.gz WHTLWPZPJSPABB-SFYZADRCSA-N 0 0 225.310 -0.431 20 70 BBIDRN COC[C@@H](C)S(=O)(=O)NC[C@H](C)CO ZINC000159718326 388028723 /nfs/dbraw/zinc/02/87/23/388028723.db2.gz WHTLWPZPJSPABB-JGVFFNPUSA-N 0 0 225.310 -0.431 20 70 BBIDRN COC[C@@H](C)S(=O)(=O)NC[C@@H](C)CO ZINC000159718457 388028479 /nfs/dbraw/zinc/02/84/79/388028479.db2.gz WHTLWPZPJSPABB-HTQZYQBOSA-N 0 0 225.310 -0.431 20 70 BBIDRN CC(C)CN(CC(N)=O)C(=O)c1cc[nH]n1 ZINC000159723326 323045422 /nfs/dbraw/zinc/04/54/22/323045422.db2.gz QELNIEUCGASWSW-UHFFFAOYSA-N 0 0 224.264 -0.007 20 70 BBIDRN CCN(C)S(=O)(=O)NC[C@@H](C)CO ZINC000159731716 397948949 /nfs/dbraw/zinc/94/89/49/397948949.db2.gz NFXBOVSTEOWQIN-SSDOTTSWSA-N 0 0 210.299 -0.599 20 70 BBIDRN CCN(C)S(=O)(=O)NC[C@H](C)CO ZINC000159731872 385728104 /nfs/dbraw/zinc/72/81/04/385728104.db2.gz NFXBOVSTEOWQIN-ZETCQYMHSA-N 0 0 210.299 -0.599 20 70 BBIDRN CCOC(=O)CNC(=O)[C@@H](C)S(C)(=O)=O ZINC000159733949 361286226 /nfs/dbraw/zinc/28/62/26/361286226.db2.gz IETCBMWBUZHERH-ZCFIWIBFSA-N 0 0 237.277 -0.901 20 70 BBIDRN CCOC(=O)CNC(=O)[C@H](C)S(C)(=O)=O ZINC000159734108 361285961 /nfs/dbraw/zinc/28/59/61/361285961.db2.gz IETCBMWBUZHERH-LURJTMIESA-N 0 0 237.277 -0.901 20 70 BBIDRN COCCN(CCn1ccnc1)[C@@H](C)C(N)=O ZINC000159812182 174297292 /nfs/dbraw/zinc/29/72/92/174297292.db2.gz IFENXKYXPFJFKR-JTQLQIEISA-N 0 0 240.307 -0.295 20 70 BBIDRN COCCN(CCn1ccnc1)[C@H](C)C(N)=O ZINC000159812325 174297938 /nfs/dbraw/zinc/29/79/38/174297938.db2.gz IFENXKYXPFJFKR-SNVBAGLBSA-N 0 0 240.307 -0.295 20 70 BBIDRN CN(CCO)C(=O)CS(=O)(=O)C(C)(C)C ZINC000159814866 323049148 /nfs/dbraw/zinc/04/91/48/323049148.db2.gz QHPFGTREYLZNSX-UHFFFAOYSA-N 0 0 237.321 -0.350 20 70 BBIDRN CC(C)(C)S(=O)(=O)CC(=O)NCCCO ZINC000159815793 535017031 /nfs/dbraw/zinc/01/70/31/535017031.db2.gz YABVXYZJQPVBAP-UHFFFAOYSA-N 0 0 237.321 -0.302 20 70 BBIDRN C[C@H](O)CNC(=O)CS(=O)(=O)C(C)(C)C ZINC000159822139 345559524 /nfs/dbraw/zinc/55/95/24/345559524.db2.gz XCKAAXAOWGGHOC-ZETCQYMHSA-N 0 0 237.321 -0.303 20 70 BBIDRN C[C@@H](O)CNC(=O)CS(=O)(=O)C(C)(C)C ZINC000159822276 345559691 /nfs/dbraw/zinc/55/96/91/345559691.db2.gz XCKAAXAOWGGHOC-SSDOTTSWSA-N 0 0 237.321 -0.303 20 70 BBIDRN C[C@@H](CO)NC(=O)CS(=O)(=O)C(C)(C)C ZINC000159834350 134791766 /nfs/dbraw/zinc/79/17/66/134791766.db2.gz VDJNXQBFUMTSMV-ZETCQYMHSA-N 0 0 237.321 -0.303 20 70 BBIDRN C[C@H](CO)NC(=O)CS(=O)(=O)C(C)(C)C ZINC000159834472 345558740 /nfs/dbraw/zinc/55/87/40/345558740.db2.gz VDJNXQBFUMTSMV-SSDOTTSWSA-N 0 0 237.321 -0.303 20 70 BBIDRN COC[C@H](C)S(=O)(=O)N1CCC[C@H]1CO ZINC000159848396 388034183 /nfs/dbraw/zinc/03/41/83/388034183.db2.gz ZUUJEMHDYIXCDZ-IUCAKERBSA-N 0 0 237.321 -0.192 20 70 BBIDRN COC[C@@H](C)S(=O)(=O)N1CCC[C@H]1CO ZINC000159848513 384512150 /nfs/dbraw/zinc/51/21/50/384512150.db2.gz ZUUJEMHDYIXCDZ-BDAKNGLRSA-N 0 0 237.321 -0.192 20 70 BBIDRN NC(=O)[C@@H]1CN(CCOCC2CC2)CCO1 ZINC000159896859 134794132 /nfs/dbraw/zinc/79/41/32/134794132.db2.gz FYWAZQYMGZYQPR-JTQLQIEISA-N 0 0 228.292 -0.401 20 70 BBIDRN CCSCCN1CCO[C@H](C(N)=O)C1 ZINC000159897685 345588978 /nfs/dbraw/zinc/58/89/78/345588978.db2.gz XEHSQCZDLFHFMN-QMMMGPOBSA-N 0 0 218.322 -0.074 20 70 BBIDRN CCSCCN1CCO[C@@H](C(N)=O)C1 ZINC000159897835 345589028 /nfs/dbraw/zinc/58/90/28/345589028.db2.gz XEHSQCZDLFHFMN-MRVPVSSYSA-N 0 0 218.322 -0.074 20 70 BBIDRN CCCOC(=O)[C@@H](C)N1CCO[C@H](C(N)=O)C1 ZINC000159900802 345620778 /nfs/dbraw/zinc/62/07/78/345620778.db2.gz KOJTYKDOIMICKY-BDAKNGLRSA-N 0 0 244.291 -0.486 20 70 BBIDRN CCCOC(=O)[C@H](C)N1CCO[C@H](C(N)=O)C1 ZINC000159900920 345620759 /nfs/dbraw/zinc/62/07/59/345620759.db2.gz KOJTYKDOIMICKY-IUCAKERBSA-N 0 0 244.291 -0.486 20 70 BBIDRN Cc1cc(C(=O)NC2(CO)CC2)n(C)n1 ZINC000159907925 385745915 /nfs/dbraw/zinc/74/59/15/385745915.db2.gz JMKCBBFLKGKJKB-UHFFFAOYSA-N 0 0 209.249 -0.017 20 70 BBIDRN CN(C)C(=O)CNC(=O)c1ccc2nc[nH]c2n1 ZINC000159914155 172368372 /nfs/dbraw/zinc/36/83/72/172368372.db2.gz IZUCBYVWKQWQCT-UHFFFAOYSA-N 0 0 247.258 -0.224 20 70 BBIDRN O=C(CCn1cccn1)NC1(CO)CC1 ZINC000159933806 388039555 /nfs/dbraw/zinc/03/95/55/388039555.db2.gz WFBBWGBBHLEQIP-UHFFFAOYSA-N 0 0 209.249 -0.086 20 70 BBIDRN CS(=O)(=O)c1cc(C(=O)NCCO)cs1 ZINC000159967444 384376394 /nfs/dbraw/zinc/37/63/94/384376394.db2.gz GDKGNVMKIUHNLT-UHFFFAOYSA-N 0 0 249.313 -0.126 20 70 BBIDRN O=C(NCCO)c1cccc(OCCO)c1 ZINC000160003336 182193542 /nfs/dbraw/zinc/19/35/42/182193542.db2.gz IQCDJKOCKJMSSC-UHFFFAOYSA-N 0 0 225.244 -0.220 20 70 BBIDRN O=C(NCCO)c1ccc(OCCO)cc1 ZINC000160004298 182193277 /nfs/dbraw/zinc/19/32/77/182193277.db2.gz ZILJRAFXVWRNKG-UHFFFAOYSA-N 0 0 225.244 -0.220 20 70 BBIDRN CSCCN(C)C(=O)[C@H]1COCCN1 ZINC000160006298 343202893 /nfs/dbraw/zinc/20/28/93/343202893.db2.gz JCNDRBHJOSLBPP-MRVPVSSYSA-N 0 0 218.322 -0.204 20 70 BBIDRN Cc1cc[nH]c(=O)c1C(=O)NCC(=O)N(C)C ZINC000160024734 345787939 /nfs/dbraw/zinc/78/79/39/345787939.db2.gz PVSMQCXQOJOIMK-UHFFFAOYSA-N 0 0 237.259 -0.086 20 70 BBIDRN CCOC(=O)[C@H](N)C(=O)N1CCCC1 ZINC000160030557 361297078 /nfs/dbraw/zinc/29/70/78/361297078.db2.gz IYJPOXSLFHXZNS-SSDOTTSWSA-N 0 0 200.238 -0.501 20 70 BBIDRN CCOC(=O)[C@@H](N)C(=O)N1CCCC1 ZINC000160030695 361297236 /nfs/dbraw/zinc/29/72/36/361297236.db2.gz IYJPOXSLFHXZNS-ZETCQYMHSA-N 0 0 200.238 -0.501 20 70 BBIDRN CCOC(=O)[C@@H](N)C(=O)N(CC)CC ZINC000160032437 353110527 /nfs/dbraw/zinc/11/05/27/353110527.db2.gz DNJKRUXRKAQYLC-ZETCQYMHSA-N 0 0 202.254 -0.255 20 70 BBIDRN CCOC(=O)[C@H](N)C(=O)N(CC)CC ZINC000160032538 353110442 /nfs/dbraw/zinc/11/04/42/353110442.db2.gz DNJKRUXRKAQYLC-SSDOTTSWSA-N 0 0 202.254 -0.255 20 70 BBIDRN CCOC(=O)[C@@H](N)C(=O)N[C@H](C)CC ZINC000160034626 353111739 /nfs/dbraw/zinc/11/17/39/353111739.db2.gz NEUAMRVKOAMFJG-RQJHMYQMSA-N 0 0 202.254 -0.209 20 70 BBIDRN CCOC(=O)[C@@H](N)C(=O)N[C@@H](C)CC ZINC000160034765 353111515 /nfs/dbraw/zinc/11/15/15/353111515.db2.gz NEUAMRVKOAMFJG-BQBZGAKWSA-N 0 0 202.254 -0.209 20 70 BBIDRN CCOC(=O)[C@H](N)C(=O)N[C@H](C)CC ZINC000160034893 353111458 /nfs/dbraw/zinc/11/14/58/353111458.db2.gz NEUAMRVKOAMFJG-RNFRBKRXSA-N 0 0 202.254 -0.209 20 70 BBIDRN CCOC(=O)[C@H](N)C(=O)N[C@@H](C)CC ZINC000160034989 353111600 /nfs/dbraw/zinc/11/16/00/353111600.db2.gz NEUAMRVKOAMFJG-NKWVEPMBSA-N 0 0 202.254 -0.209 20 70 BBIDRN CCOC(=O)[C@H](N)C(=O)NCC(C)C ZINC000160035372 361296935 /nfs/dbraw/zinc/29/69/35/361296935.db2.gz SFOKGULXUUQGIF-SSDOTTSWSA-N 0 0 202.254 -0.351 20 70 BBIDRN CCOC(=O)[C@@H](N)C(=O)NCC(C)C ZINC000160035475 353110346 /nfs/dbraw/zinc/11/03/46/353110346.db2.gz SFOKGULXUUQGIF-ZETCQYMHSA-N 0 0 202.254 -0.351 20 70 BBIDRN CCOC(=O)[C@H](N)C(=O)NC1CCCC1 ZINC000160035608 361297469 /nfs/dbraw/zinc/29/74/69/361297469.db2.gz KMNZJPMGYNVFBU-MRVPVSSYSA-N 0 0 214.265 -0.064 20 70 BBIDRN CCOC(=O)[C@@H](N)C(=O)NC1CCCC1 ZINC000160035752 353110496 /nfs/dbraw/zinc/11/04/96/353110496.db2.gz KMNZJPMGYNVFBU-QMMMGPOBSA-N 0 0 214.265 -0.064 20 70 BBIDRN CCOC(=O)[C@H](N)C(=O)NCC1CC1 ZINC000160038717 353110996 /nfs/dbraw/zinc/11/09/96/353110996.db2.gz XEIZEEUIDOKRJR-SSDOTTSWSA-N 0 0 200.238 -0.597 20 70 BBIDRN CCOC(=O)[C@@H](N)C(=O)NCC1CC1 ZINC000160038820 353111144 /nfs/dbraw/zinc/11/11/44/353111144.db2.gz XEIZEEUIDOKRJR-ZETCQYMHSA-N 0 0 200.238 -0.597 20 70 BBIDRN CCOC(=O)[C@H](N)C(=O)N[C@@H](C)COC ZINC000160040223 353111734 /nfs/dbraw/zinc/11/17/34/353111734.db2.gz OTALMBYUGAXUNV-NKWVEPMBSA-N 0 0 218.253 -0.972 20 70 BBIDRN CCOC(=O)[C@@H](N)C(=O)N[C@@H](C)COC ZINC000160040346 361297513 /nfs/dbraw/zinc/29/75/13/361297513.db2.gz OTALMBYUGAXUNV-BQBZGAKWSA-N 0 0 218.253 -0.972 20 70 BBIDRN CCOC(=O)[C@H](N)C(=O)N[C@H](C)COC ZINC000160040430 361297764 /nfs/dbraw/zinc/29/77/64/361297764.db2.gz OTALMBYUGAXUNV-RNFRBKRXSA-N 0 0 218.253 -0.972 20 70 BBIDRN CCOC(=O)[C@@H](N)C(=O)N[C@H](C)COC ZINC000160040536 353111632 /nfs/dbraw/zinc/11/16/32/353111632.db2.gz OTALMBYUGAXUNV-RQJHMYQMSA-N 0 0 218.253 -0.972 20 70 BBIDRN CCCCNC(=O)[C@H](N)C(=O)OCC ZINC000160040689 353111687 /nfs/dbraw/zinc/11/16/87/353111687.db2.gz BUULXUPYQBFBRP-ZETCQYMHSA-N 0 0 202.254 -0.207 20 70 BBIDRN CCCCNC(=O)[C@@H](N)C(=O)OCC ZINC000160040772 353111752 /nfs/dbraw/zinc/11/17/52/353111752.db2.gz BUULXUPYQBFBRP-SSDOTTSWSA-N 0 0 202.254 -0.207 20 70 BBIDRN CCOC(=O)[C@H](N)C(=O)N(C)C(C)C ZINC000160042233 353114440 /nfs/dbraw/zinc/11/44/40/353114440.db2.gz PEWDPEFANDGVGS-SSDOTTSWSA-N 0 0 202.254 -0.256 20 70 BBIDRN CCOC(=O)[C@@H](N)C(=O)N(C)C(C)C ZINC000160042369 353114417 /nfs/dbraw/zinc/11/44/17/353114417.db2.gz PEWDPEFANDGVGS-ZETCQYMHSA-N 0 0 202.254 -0.256 20 70 BBIDRN Cc1cc[nH]c(=O)c1C(=O)N[C@@H](C)C(N)=O ZINC000160042425 345790809 /nfs/dbraw/zinc/79/08/09/345790809.db2.gz JXCAYUCQUPNMBY-LURJTMIESA-N 0 0 223.232 -0.301 20 70 BBIDRN Cc1cc[nH]c(=O)c1C(=O)N[C@H](C)C(N)=O ZINC000160042544 345790164 /nfs/dbraw/zinc/79/01/64/345790164.db2.gz JXCAYUCQUPNMBY-ZCFIWIBFSA-N 0 0 223.232 -0.301 20 70 BBIDRN CCOC(=O)[C@@H](N)C(=O)N1CCCCC1 ZINC000160043504 353114828 /nfs/dbraw/zinc/11/48/28/353114828.db2.gz ZRAOXYLSCQDOTJ-QMMMGPOBSA-N 0 0 214.265 -0.111 20 70 BBIDRN CCOC(=O)[C@H](N)C(=O)NCC(F)(F)F ZINC000160045165 353114707 /nfs/dbraw/zinc/11/47/07/353114707.db2.gz HGSKRDAVOQEUFS-SCSAIBSYSA-N 0 0 228.170 -0.445 20 70 BBIDRN CCOC(=O)[C@@H](N)C(=O)NCC(F)(F)F ZINC000160045283 353114671 /nfs/dbraw/zinc/11/46/71/353114671.db2.gz HGSKRDAVOQEUFS-BYPYZUCNSA-N 0 0 228.170 -0.445 20 70 BBIDRN CCOC(=O)[C@H](N)C(=O)N1CCSCC1 ZINC000160047306 386138802 /nfs/dbraw/zinc/13/88/02/386138802.db2.gz GWAMMQGKZMLUAK-SSDOTTSWSA-N 0 0 232.305 -0.548 20 70 BBIDRN CCOC(=O)[C@@H](N)C(=O)N1CCSCC1 ZINC000160047439 386139606 /nfs/dbraw/zinc/13/96/06/386139606.db2.gz GWAMMQGKZMLUAK-ZETCQYMHSA-N 0 0 232.305 -0.548 20 70 BBIDRN CCOC(=O)[C@H](N)C(=O)NCCCOC ZINC000160048105 353118097 /nfs/dbraw/zinc/11/80/97/353118097.db2.gz JLMNFBLHPPWLIT-SSDOTTSWSA-N 0 0 218.253 -0.971 20 70 BBIDRN CCOC(=O)[C@@H](N)C(=O)NCCCOC ZINC000160048253 353118070 /nfs/dbraw/zinc/11/80/70/353118070.db2.gz JLMNFBLHPPWLIT-ZETCQYMHSA-N 0 0 218.253 -0.971 20 70 BBIDRN CCOC(=O)[C@H](N)C(=O)N(C)C1CC1 ZINC000160049751 353118610 /nfs/dbraw/zinc/11/86/10/353118610.db2.gz QSLXIQADQXXVQL-SSDOTTSWSA-N 0 0 200.238 -0.502 20 70 BBIDRN CCOC(=O)[C@@H](N)C(=O)N(C)C1CC1 ZINC000160049883 353118576 /nfs/dbraw/zinc/11/85/76/353118576.db2.gz QSLXIQADQXXVQL-ZETCQYMHSA-N 0 0 200.238 -0.502 20 70 BBIDRN CCCN(C)C(=O)[C@H](N)C(=O)OCC ZINC000160051546 353123052 /nfs/dbraw/zinc/12/30/52/353123052.db2.gz VKGQJKAHTQLOFZ-ZETCQYMHSA-N 0 0 202.254 -0.255 20 70 BBIDRN CCCN(C)C(=O)[C@@H](N)C(=O)OCC ZINC000160051663 361297173 /nfs/dbraw/zinc/29/71/73/361297173.db2.gz VKGQJKAHTQLOFZ-SSDOTTSWSA-N 0 0 202.254 -0.255 20 70 BBIDRN CCOC(=O)[C@H](N)C(=O)N(C)CC(C)C ZINC000160051812 353122948 /nfs/dbraw/zinc/12/29/48/353122948.db2.gz MSKKCXCTRUIQEP-MRVPVSSYSA-N 0 0 216.281 -0.009 20 70 BBIDRN CCOC(=O)[C@@H](N)C(=O)N(C)CC(C)C ZINC000160051927 353123632 /nfs/dbraw/zinc/12/36/32/353123632.db2.gz MSKKCXCTRUIQEP-QMMMGPOBSA-N 0 0 216.281 -0.009 20 70 BBIDRN CCOC(=O)[C@H](N)C(=O)NCC1CCC1 ZINC000160053955 353123462 /nfs/dbraw/zinc/12/34/62/353123462.db2.gz UGUYVVFRWPFFSO-MRVPVSSYSA-N 0 0 214.265 -0.207 20 70 BBIDRN CCOC(=O)[C@@H](N)C(=O)NCC1CCC1 ZINC000160054102 353123602 /nfs/dbraw/zinc/12/36/02/353123602.db2.gz UGUYVVFRWPFFSO-QMMMGPOBSA-N 0 0 214.265 -0.207 20 70 BBIDRN CCOC(=O)[C@H](N)C(=O)Nc1cn[nH]c1 ZINC000160059151 353124183 /nfs/dbraw/zinc/12/41/83/353124183.db2.gz HUMYFKGMKWNAJC-ZCFIWIBFSA-N 0 0 212.209 -0.761 20 70 BBIDRN CCOC(=O)[C@@H](N)C(=O)Nc1cn[nH]c1 ZINC000160059292 353124199 /nfs/dbraw/zinc/12/41/99/353124199.db2.gz HUMYFKGMKWNAJC-LURJTMIESA-N 0 0 212.209 -0.761 20 70 BBIDRN CCOCCNC(=O)[C@H](N)C(=O)OCC ZINC000160063439 353127287 /nfs/dbraw/zinc/12/72/87/353127287.db2.gz PFAATINYEQFDLI-ZETCQYMHSA-N 0 0 218.253 -0.971 20 70 BBIDRN CCOCCNC(=O)[C@@H](N)C(=O)OCC ZINC000160063587 361296973 /nfs/dbraw/zinc/29/69/73/361296973.db2.gz PFAATINYEQFDLI-SSDOTTSWSA-N 0 0 218.253 -0.971 20 70 BBIDRN CCOC(=O)[C@H](N)C(=O)N1CCC[C@@H]1C ZINC000160071552 353130334 /nfs/dbraw/zinc/13/03/34/353130334.db2.gz GVHXYERXYFAQTM-JGVFFNPUSA-N 0 0 214.265 -0.112 20 70 BBIDRN CCOC(=O)[C@@H](N)C(=O)N1CCC[C@@H]1C ZINC000160071665 353130606 /nfs/dbraw/zinc/13/06/06/353130606.db2.gz GVHXYERXYFAQTM-YUMQZZPRSA-N 0 0 214.265 -0.112 20 70 BBIDRN CCOC(=O)[C@H](N)C(=O)N1CCC[C@H]1C ZINC000160071783 353130498 /nfs/dbraw/zinc/13/04/98/353130498.db2.gz GVHXYERXYFAQTM-HTQZYQBOSA-N 0 0 214.265 -0.112 20 70 BBIDRN CCOC(=O)[C@@H](N)C(=O)N1CCC[C@H]1C ZINC000160071894 353130430 /nfs/dbraw/zinc/13/04/30/353130430.db2.gz GVHXYERXYFAQTM-SFYZADRCSA-N 0 0 214.265 -0.112 20 70 BBIDRN CCOC(=O)[C@H](N)C(=O)N1CC[C@H](C)C1 ZINC000160077731 353131026 /nfs/dbraw/zinc/13/10/26/353131026.db2.gz LHNICEKPIJJCCI-JGVFFNPUSA-N 0 0 214.265 -0.255 20 70 BBIDRN CCOC(=O)[C@@H](N)C(=O)N1CC[C@H](C)C1 ZINC000160077880 353131158 /nfs/dbraw/zinc/13/11/58/353131158.db2.gz LHNICEKPIJJCCI-YUMQZZPRSA-N 0 0 214.265 -0.255 20 70 BBIDRN CCOC(=O)[C@H](N)C(=O)N1CC[C@@H](C)C1 ZINC000160078010 353131259 /nfs/dbraw/zinc/13/12/59/353131259.db2.gz LHNICEKPIJJCCI-HTQZYQBOSA-N 0 0 214.265 -0.255 20 70 BBIDRN CCOC(=O)[C@@H](N)C(=O)N1CC[C@@H](C)C1 ZINC000160078107 353130368 /nfs/dbraw/zinc/13/03/68/353130368.db2.gz LHNICEKPIJJCCI-SFYZADRCSA-N 0 0 214.265 -0.255 20 70 BBIDRN CCOC(=O)[C@H](N)C(=O)NC1CCC1 ZINC000160091835 353135221 /nfs/dbraw/zinc/13/52/21/353135221.db2.gz QRRRKFBHEVNGNY-SSDOTTSWSA-N 0 0 200.238 -0.455 20 70 BBIDRN CCOC(=O)[C@@H](N)C(=O)NC1CCC1 ZINC000160091954 353134968 /nfs/dbraw/zinc/13/49/68/353134968.db2.gz QRRRKFBHEVNGNY-ZETCQYMHSA-N 0 0 200.238 -0.455 20 70 BBIDRN COCC(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000160093188 386406206 /nfs/dbraw/zinc/40/62/06/386406206.db2.gz JKHCXCHWEAHFAV-UHFFFAOYSA-N 0 0 235.305 -0.332 20 70 BBIDRN CN(C)C(=O)CNC(=O)[C@@H]1CCCCO1 ZINC000160100017 323060724 /nfs/dbraw/zinc/06/07/24/323060724.db2.gz ARMDNFQGQKARCK-QMMMGPOBSA-N 0 0 214.265 -0.240 20 70 BBIDRN CN(C)C(=O)CNC(=O)[C@H]1CCCCO1 ZINC000160100150 323060771 /nfs/dbraw/zinc/06/07/71/323060771.db2.gz ARMDNFQGQKARCK-MRVPVSSYSA-N 0 0 214.265 -0.240 20 70 BBIDRN CCOC(=O)[C@H](N)C(=O)NCCSC ZINC000160102971 353137658 /nfs/dbraw/zinc/13/76/58/353137658.db2.gz BHBHBLOXTGJWSQ-ZCFIWIBFSA-N 0 0 220.294 -0.644 20 70 BBIDRN CCOC(=O)[C@@H](N)C(=O)NCCSC ZINC000160103104 353137498 /nfs/dbraw/zinc/13/74/98/353137498.db2.gz BHBHBLOXTGJWSQ-LURJTMIESA-N 0 0 220.294 -0.644 20 70 BBIDRN CCOC(=O)[C@H](N)C(=O)NCCCSC ZINC000160103245 353137762 /nfs/dbraw/zinc/13/77/62/353137762.db2.gz RHVVAXOFOPQONF-SSDOTTSWSA-N 0 0 234.321 -0.254 20 70 BBIDRN CCOC(=O)[C@@H](N)C(=O)NCCCSC ZINC000160103388 353137633 /nfs/dbraw/zinc/13/76/33/353137633.db2.gz RHVVAXOFOPQONF-ZETCQYMHSA-N 0 0 234.321 -0.254 20 70 BBIDRN CCOC(=O)[C@H](N)C(=O)NCCC1CC1 ZINC000160112752 361299939 /nfs/dbraw/zinc/29/99/39/361299939.db2.gz CCONAPKDYKEKMH-MRVPVSSYSA-N 0 0 214.265 -0.207 20 70 BBIDRN CCOC(=O)[C@@H](N)C(=O)NCCC1CC1 ZINC000160112890 353139115 /nfs/dbraw/zinc/13/91/15/353139115.db2.gz CCONAPKDYKEKMH-QMMMGPOBSA-N 0 0 214.265 -0.207 20 70 BBIDRN CCOC(=O)[C@H](N)C(=O)NCC(F)F ZINC000160123381 353140686 /nfs/dbraw/zinc/14/06/86/353140686.db2.gz TUGUHJLWOBPFFD-RXMQYKEDSA-N 0 0 210.180 -0.742 20 70 BBIDRN CCOC(=O)[C@@H](N)C(=O)NCC(F)F ZINC000160123505 353142856 /nfs/dbraw/zinc/14/28/56/353142856.db2.gz TUGUHJLWOBPFFD-YFKPBYRVSA-N 0 0 210.180 -0.742 20 70 BBIDRN CCNC(=O)CNC(=O)[C@@H]1CCCCO1 ZINC000160124756 386505859 /nfs/dbraw/zinc/50/58/59/386505859.db2.gz UBVKFGXULXRSAZ-QMMMGPOBSA-N 0 0 214.265 -0.192 20 70 BBIDRN CCNC(=O)CNC(=O)[C@H]1CCCCO1 ZINC000160124877 386507156 /nfs/dbraw/zinc/50/71/56/386507156.db2.gz UBVKFGXULXRSAZ-MRVPVSSYSA-N 0 0 214.265 -0.192 20 70 BBIDRN CC[C@@H](CCO)NC(=O)[C@@H](C)NC(N)=O ZINC000160128251 361300343 /nfs/dbraw/zinc/30/03/43/361300343.db2.gz BOEFFJLHIUIULD-RQJHMYQMSA-N 0 0 217.269 -0.680 20 70 BBIDRN CC[C@H](CCO)NC(=O)[C@@H](C)NC(N)=O ZINC000160128383 361300632 /nfs/dbraw/zinc/30/06/32/361300632.db2.gz BOEFFJLHIUIULD-RNFRBKRXSA-N 0 0 217.269 -0.680 20 70 BBIDRN CC[C@@H](CCO)NC(=O)[C@H](C)NC(N)=O ZINC000160128498 535743494 /nfs/dbraw/zinc/74/34/94/535743494.db2.gz BOEFFJLHIUIULD-BQBZGAKWSA-N 0 0 217.269 -0.680 20 70 BBIDRN CC[C@H](CCO)NC(=O)[C@H](C)NC(N)=O ZINC000160128591 134798522 /nfs/dbraw/zinc/79/85/22/134798522.db2.gz BOEFFJLHIUIULD-NKWVEPMBSA-N 0 0 217.269 -0.680 20 70 BBIDRN CC[C@@H](CCO)NC(=O)[C@@H]1CCC(=O)N1 ZINC000160129201 388048189 /nfs/dbraw/zinc/04/81/89/388048189.db2.gz OXSLKRQFYNFSDV-YUMQZZPRSA-N 0 0 214.265 -0.458 20 70 BBIDRN CC[C@H](CCO)NC(=O)[C@@H]1CCC(=O)N1 ZINC000160129295 171427402 /nfs/dbraw/zinc/42/74/02/171427402.db2.gz OXSLKRQFYNFSDV-SFYZADRCSA-N 0 0 214.265 -0.458 20 70 BBIDRN CC[C@@H](CCO)NC(=O)[C@H]1CCC(=O)N1 ZINC000160129374 388048277 /nfs/dbraw/zinc/04/82/77/388048277.db2.gz OXSLKRQFYNFSDV-JGVFFNPUSA-N 0 0 214.265 -0.458 20 70 BBIDRN CC[C@H](CCO)NC(=O)[C@H]1CCC(=O)N1 ZINC000160129471 388047654 /nfs/dbraw/zinc/04/76/54/388047654.db2.gz OXSLKRQFYNFSDV-HTQZYQBOSA-N 0 0 214.265 -0.458 20 70 BBIDRN C[C@H](C[NH3+])NS(=O)(=O)[N-]CC(F)(F)F ZINC000160133342 323061137 /nfs/dbraw/zinc/06/11/37/323061137.db2.gz XBHRWIMNFWHYCJ-SCSAIBSYSA-N 0 0 235.231 -0.680 20 70 BBIDRN CC[C@@H](CCO)NC(=O)Cn1cncn1 ZINC000160133689 541495791 /nfs/dbraw/zinc/49/57/91/541495791.db2.gz HUCCHZLOJMUPLY-QMMMGPOBSA-N 0 0 212.253 -0.445 20 70 BBIDRN CC[C@H](CCO)NC(=O)Cn1cncn1 ZINC000160133820 541495982 /nfs/dbraw/zinc/49/59/82/541495982.db2.gz HUCCHZLOJMUPLY-MRVPVSSYSA-N 0 0 212.253 -0.445 20 70 BBIDRN CC(C)(C[NH3+])NS(=O)(=O)[N-]CC(F)(F)F ZINC000160134314 488108837 /nfs/dbraw/zinc/10/88/37/488108837.db2.gz MGSHWTWCXGAFJS-UHFFFAOYSA-N 0 0 249.258 -0.290 20 70 BBIDRN CCOC(=O)[C@H](N)C(=O)NC[C@@H]1C[C@@H]1C ZINC000160135616 353248309 /nfs/dbraw/zinc/24/83/09/353248309.db2.gz GTZIZPNEWRHTSQ-BIIVOSGPSA-N 0 0 214.265 -0.351 20 70 BBIDRN CCOC(=O)[C@H](N)C(=O)NC[C@H]1C[C@@H]1C ZINC000160135887 353248095 /nfs/dbraw/zinc/24/80/95/353248095.db2.gz GTZIZPNEWRHTSQ-XLPZGREQSA-N 0 0 214.265 -0.351 20 70 BBIDRN CCOC(=O)[C@H](N)C(=O)NC[C@@H](C)SC ZINC000160137582 353250176 /nfs/dbraw/zinc/25/01/76/353250176.db2.gz GKSYZIFIKWYZKS-RNFRBKRXSA-N 0 0 234.321 -0.256 20 70 BBIDRN CCOC(=O)[C@@H](N)C(=O)NC[C@@H](C)SC ZINC000160137714 353250338 /nfs/dbraw/zinc/25/03/38/353250338.db2.gz GKSYZIFIKWYZKS-RQJHMYQMSA-N 0 0 234.321 -0.256 20 70 BBIDRN CCOC(=O)[C@H](N)C(=O)NC[C@H](C)SC ZINC000160137847 353250239 /nfs/dbraw/zinc/25/02/39/353250239.db2.gz GKSYZIFIKWYZKS-NKWVEPMBSA-N 0 0 234.321 -0.256 20 70 BBIDRN CCOC(=O)[C@@H](N)C(=O)NC[C@H](C)SC ZINC000160137969 353250929 /nfs/dbraw/zinc/25/09/29/353250929.db2.gz GKSYZIFIKWYZKS-BQBZGAKWSA-N 0 0 234.321 -0.256 20 70 BBIDRN CCOC(=O)[C@H](N)C(=O)NC1CC(C)C1 ZINC000160138652 353250906 /nfs/dbraw/zinc/25/09/06/353250906.db2.gz HEIVYWYIMFFCRY-KAVNDROISA-N 0 0 214.265 -0.209 20 70 BBIDRN CCOC(=O)[C@@H](N)C(=O)NC1CC(C)C1 ZINC000160138768 353250819 /nfs/dbraw/zinc/25/08/19/353250819.db2.gz HEIVYWYIMFFCRY-RRQHEKLDSA-N 0 0 214.265 -0.209 20 70 BBIDRN CCOC(=O)[C@H](N)C(=O)N[C@@H](C)CSC ZINC000160139723 353255074 /nfs/dbraw/zinc/25/50/74/353255074.db2.gz LPZDBWMKEQPWPX-NKWVEPMBSA-N 0 0 234.321 -0.256 20 70 BBIDRN CCOC(=O)[C@@H](N)C(=O)N[C@@H](C)CSC ZINC000160139861 353254867 /nfs/dbraw/zinc/25/48/67/353254867.db2.gz LPZDBWMKEQPWPX-BQBZGAKWSA-N 0 0 234.321 -0.256 20 70 BBIDRN CCOC(=O)[C@H](N)C(=O)N[C@H](C)CSC ZINC000160139990 353255924 /nfs/dbraw/zinc/25/59/24/353255924.db2.gz LPZDBWMKEQPWPX-RNFRBKRXSA-N 0 0 234.321 -0.256 20 70 BBIDRN CCOC(=O)[C@@H](N)C(=O)N[C@H](C)CSC ZINC000160140123 353257646 /nfs/dbraw/zinc/25/76/46/353257646.db2.gz LPZDBWMKEQPWPX-RQJHMYQMSA-N 0 0 234.321 -0.256 20 70 BBIDRN CC1(C(=O)N2CCN(S(C)(=O)=O)CC2)CC1 ZINC000160140858 323061222 /nfs/dbraw/zinc/06/12/22/323061222.db2.gz NMUKBRJBYGDVQJ-UHFFFAOYSA-N 0 0 246.332 -0.110 20 70 BBIDRN CCOC(=O)[C@H](N)C(=O)N(C)CC(F)F ZINC000160156793 353341870 /nfs/dbraw/zinc/34/18/70/353341870.db2.gz IIVYNWKTGCBVPF-ZCFIWIBFSA-N 0 0 224.207 -0.400 20 70 BBIDRN CCOC(=O)[C@@H](N)C(=O)N(C)CC(F)F ZINC000160156913 361302116 /nfs/dbraw/zinc/30/21/16/361302116.db2.gz IIVYNWKTGCBVPF-LURJTMIESA-N 0 0 224.207 -0.400 20 70 BBIDRN CCOC(=O)[C@H](N)C(=O)N(C)C1CCC1 ZINC000160158654 353345648 /nfs/dbraw/zinc/34/56/48/353345648.db2.gz FJWFAKCCYJWIJH-MRVPVSSYSA-N 0 0 214.265 -0.112 20 70 BBIDRN CCOC(=O)[C@@H](N)C(=O)N(C)C1CCC1 ZINC000160158798 353345733 /nfs/dbraw/zinc/34/57/33/353345733.db2.gz FJWFAKCCYJWIJH-QMMMGPOBSA-N 0 0 214.265 -0.112 20 70 BBIDRN C[C@@H](CC[NH3+])NS(=O)(=O)[N-]CC(F)(F)F ZINC000160163533 343202823 /nfs/dbraw/zinc/20/28/23/343202823.db2.gz GANGPLMCQBMOLY-YFKPBYRVSA-N 0 0 249.258 -0.290 20 70 BBIDRN C[C@H](CC[NH3+])NS(=O)(=O)[N-]CC(F)(F)F ZINC000160163664 343202878 /nfs/dbraw/zinc/20/28/78/343202878.db2.gz GANGPLMCQBMOLY-RXMQYKEDSA-N 0 0 249.258 -0.290 20 70 BBIDRN [NH3+]CCCCNS(=O)(=O)[N-]CC(F)(F)F ZINC000160167112 323062360 /nfs/dbraw/zinc/06/23/60/323062360.db2.gz OCVJSKYKBIMSIS-UHFFFAOYSA-N 0 0 249.258 -0.288 20 70 BBIDRN [NH3+]CCCNS(=O)(=O)[N-]CC(F)(F)F ZINC000160167915 343203064 /nfs/dbraw/zinc/20/30/64/343203064.db2.gz MKKHBOQDGLATPS-UHFFFAOYSA-N 0 0 235.231 -0.679 20 70 BBIDRN C[C@@H](C[NH3+])CNS(=O)(=O)[N-]CC(F)(F)F ZINC000160168571 343202998 /nfs/dbraw/zinc/20/29/98/343202998.db2.gz CXHRGQSEXQYFMR-YFKPBYRVSA-N 0 0 249.258 -0.433 20 70 BBIDRN C[C@H](C[NH3+])CNS(=O)(=O)[N-]CC(F)(F)F ZINC000160168678 343203550 /nfs/dbraw/zinc/20/35/50/343203550.db2.gz CXHRGQSEXQYFMR-RXMQYKEDSA-N 0 0 249.258 -0.433 20 70 BBIDRN C[C@@H](C[NH3+])N(C)S(=O)(=O)[N-]CC(F)(F)F ZINC000160181084 323075358 /nfs/dbraw/zinc/07/53/58/323075358.db2.gz LJGUWEWBVFOVCO-YFKPBYRVSA-N 0 0 249.258 -0.338 20 70 BBIDRN C[C@H](C[NH3+])N(C)S(=O)(=O)[N-]CC(F)(F)F ZINC000160181221 323062730 /nfs/dbraw/zinc/06/27/30/323062730.db2.gz LJGUWEWBVFOVCO-RXMQYKEDSA-N 0 0 249.258 -0.338 20 70 BBIDRN CC(C)NC(=O)N1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000160196455 386467772 /nfs/dbraw/zinc/46/77/72/386467772.db2.gz MJUMJCYTPQLAOS-HTQZYQBOSA-N 0 0 229.280 -0.321 20 70 BBIDRN CC(C)NC(=O)N1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000160196587 398343356 /nfs/dbraw/zinc/34/33/56/398343356.db2.gz MJUMJCYTPQLAOS-SFYZADRCSA-N 0 0 229.280 -0.321 20 70 BBIDRN CCCNC(=O)N1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000160196730 169235551 /nfs/dbraw/zinc/23/55/51/169235551.db2.gz URIRXAWAMDVPNQ-SFYZADRCSA-N 0 0 229.280 -0.319 20 70 BBIDRN CCCNC(=O)N1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000160196883 398343333 /nfs/dbraw/zinc/34/33/33/398343333.db2.gz URIRXAWAMDVPNQ-HTQZYQBOSA-N 0 0 229.280 -0.319 20 70 BBIDRN CC(C)CNC(=O)N1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000160199762 384658210 /nfs/dbraw/zinc/65/82/10/384658210.db2.gz WXUXMUHNRRXNGT-RKDXNWHRSA-N 0 0 243.307 -0.073 20 70 BBIDRN CC(C)CNC(=O)N1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000160199899 384658170 /nfs/dbraw/zinc/65/81/70/384658170.db2.gz WXUXMUHNRRXNGT-BDAKNGLRSA-N 0 0 243.307 -0.073 20 70 BBIDRN C[C@@H]1CN(C(=O)NC2CC2)C[C@H](C(N)=O)O1 ZINC000160200336 386494530 /nfs/dbraw/zinc/49/45/30/386494530.db2.gz BKVDCLNSBOFTEN-HTRCEHHLSA-N 0 0 227.264 -0.567 20 70 BBIDRN C[C@@H]1CN(C(=O)NC2CC2)C[C@@H](C(N)=O)O1 ZINC000160200466 134801102 /nfs/dbraw/zinc/80/11/02/134801102.db2.gz BKVDCLNSBOFTEN-SVRRBLITSA-N 0 0 227.264 -0.567 20 70 BBIDRN CCNC(=O)N1C[C@@H](C)O[C@H](C(=O)OC)C1 ZINC000160201134 353626095 /nfs/dbraw/zinc/62/60/95/353626095.db2.gz QBPBEZZWQRZKKW-SFYZADRCSA-N 0 0 230.264 -0.022 20 70 BBIDRN CCNC(=O)N1C[C@@H](C)O[C@@H](C(=O)OC)C1 ZINC000160201263 398343303 /nfs/dbraw/zinc/34/33/03/398343303.db2.gz QBPBEZZWQRZKKW-HTQZYQBOSA-N 0 0 230.264 -0.022 20 70 BBIDRN C[C@]1(NC(=O)[C@H]2CNC(=O)C2)CCOC1 ZINC000160213451 386648253 /nfs/dbraw/zinc/64/82/53/386648253.db2.gz FCHWMEUVDCUPJQ-XCBNKYQSSA-N 0 0 212.249 -0.582 20 70 BBIDRN C[C@@]1(NC(=O)[C@H]2CNC(=O)C2)CCOC1 ZINC000160213546 386647243 /nfs/dbraw/zinc/64/72/43/386647243.db2.gz FCHWMEUVDCUPJQ-GMSGAONNSA-N 0 0 212.249 -0.582 20 70 BBIDRN C[C@]1(NC(=O)[C@@H]2CNC(=O)C2)CCOC1 ZINC000160213689 386648004 /nfs/dbraw/zinc/64/80/04/386648004.db2.gz FCHWMEUVDCUPJQ-XVKPBYJWSA-N 0 0 212.249 -0.582 20 70 BBIDRN O=C(CNC(=O)[C@@H]1CCCCO1)NC1CC1 ZINC000160213753 386648705 /nfs/dbraw/zinc/64/87/05/386648705.db2.gz IEBHTJVIWYCBEJ-VIFPVBQESA-N 0 0 226.276 -0.050 20 70 BBIDRN C[C@@]1(NC(=O)[C@@H]2CNC(=O)C2)CCOC1 ZINC000160213828 134801340 /nfs/dbraw/zinc/80/13/40/134801340.db2.gz FCHWMEUVDCUPJQ-OIBJUYFYSA-N 0 0 212.249 -0.582 20 70 BBIDRN O=C(CNC(=O)[C@H]1CCCCO1)NC1CC1 ZINC000160213879 386651550 /nfs/dbraw/zinc/65/15/50/386651550.db2.gz IEBHTJVIWYCBEJ-SECBINFHSA-N 0 0 226.276 -0.050 20 70 BBIDRN CCS(=O)(=O)N[C@@H]1CCC[C@H](C(N)=O)C1 ZINC000160230155 385421235 /nfs/dbraw/zinc/42/12/35/385421235.db2.gz AOHWNEODZCIVFV-JGVFFNPUSA-N 0 0 234.321 -0.030 20 70 BBIDRN CCS(=O)(=O)N[C@H]1CCC[C@H](C(N)=O)C1 ZINC000160230300 385421583 /nfs/dbraw/zinc/42/15/83/385421583.db2.gz AOHWNEODZCIVFV-YUMQZZPRSA-N 0 0 234.321 -0.030 20 70 BBIDRN CCS(=O)(=O)N[C@@H]1CCC[C@@H](C(N)=O)C1 ZINC000160230408 385421719 /nfs/dbraw/zinc/42/17/19/385421719.db2.gz AOHWNEODZCIVFV-HTQZYQBOSA-N 0 0 234.321 -0.030 20 70 BBIDRN CCS(=O)(=O)N[C@H]1CCC[C@@H](C(N)=O)C1 ZINC000160230536 385421335 /nfs/dbraw/zinc/42/13/35/385421335.db2.gz AOHWNEODZCIVFV-SFYZADRCSA-N 0 0 234.321 -0.030 20 70 BBIDRN CC(C)NC(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 ZINC000160235265 346358008 /nfs/dbraw/zinc/35/80/08/346358008.db2.gz ROYKQYZBTGQIGA-JGVFFNPUSA-N 0 0 229.280 -0.273 20 70 BBIDRN CC(C)NC(=O)NC[C@H]1CC[C@H](C(N)=O)O1 ZINC000160235387 346358101 /nfs/dbraw/zinc/35/81/01/346358101.db2.gz ROYKQYZBTGQIGA-HTQZYQBOSA-N 0 0 229.280 -0.273 20 70 BBIDRN CC(C)NC(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 ZINC000160235504 346357835 /nfs/dbraw/zinc/35/78/35/346357835.db2.gz ROYKQYZBTGQIGA-YUMQZZPRSA-N 0 0 229.280 -0.273 20 70 BBIDRN CC(C)NC(=O)NC[C@H]1CC[C@@H](C(N)=O)O1 ZINC000160235652 323064402 /nfs/dbraw/zinc/06/44/02/323064402.db2.gz ROYKQYZBTGQIGA-SFYZADRCSA-N 0 0 229.280 -0.273 20 70 BBIDRN CC(C)CNC(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 ZINC000160244852 346358524 /nfs/dbraw/zinc/35/85/24/346358524.db2.gz KVSGUAJVLFRRTN-DTWKUNHWSA-N 0 0 243.307 -0.026 20 70 BBIDRN CC(C)CNC(=O)NC[C@H]1CC[C@H](C(N)=O)O1 ZINC000160244994 346358651 /nfs/dbraw/zinc/35/86/51/346358651.db2.gz KVSGUAJVLFRRTN-RKDXNWHRSA-N 0 0 243.307 -0.026 20 70 BBIDRN CC(C)CNC(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 ZINC000160245122 346358811 /nfs/dbraw/zinc/35/88/11/346358811.db2.gz KVSGUAJVLFRRTN-IUCAKERBSA-N 0 0 243.307 -0.026 20 70 BBIDRN CC(C)CNC(=O)NC[C@H]1CC[C@@H](C(N)=O)O1 ZINC000160245289 346358489 /nfs/dbraw/zinc/35/84/89/346358489.db2.gz KVSGUAJVLFRRTN-BDAKNGLRSA-N 0 0 243.307 -0.026 20 70 BBIDRN NC(=O)[C@H]1CC[C@@H](CNC(=O)NC2CC2)O1 ZINC000160246235 181284005 /nfs/dbraw/zinc/28/40/05/181284005.db2.gz SBEHLXOVWVKFRY-JGVFFNPUSA-N 0 0 227.264 -0.519 20 70 BBIDRN NC(=O)[C@H]1CC[C@H](CNC(=O)NC2CC2)O1 ZINC000160246362 181283915 /nfs/dbraw/zinc/28/39/15/181283915.db2.gz SBEHLXOVWVKFRY-HTQZYQBOSA-N 0 0 227.264 -0.519 20 70 BBIDRN NC(=O)[C@@H]1CC[C@@H](CNC(=O)NC2CC2)O1 ZINC000160246490 181271072 /nfs/dbraw/zinc/27/10/72/181271072.db2.gz SBEHLXOVWVKFRY-YUMQZZPRSA-N 0 0 227.264 -0.519 20 70 BBIDRN NC(=O)[C@@H]1CC[C@H](CNC(=O)NC2CC2)O1 ZINC000160246607 181272741 /nfs/dbraw/zinc/27/27/41/181272741.db2.gz SBEHLXOVWVKFRY-SFYZADRCSA-N 0 0 227.264 -0.519 20 70 BBIDRN CC(=O)NC[C@@H]1CCC[C@@H]1NS(C)(=O)=O ZINC000160246901 346358840 /nfs/dbraw/zinc/35/88/40/346358840.db2.gz YEDIVGUUADVNIU-IUCAKERBSA-N 0 0 234.321 -0.160 20 70 BBIDRN CC(=O)NC[C@H]1CCC[C@@H]1NS(C)(=O)=O ZINC000160247043 346358645 /nfs/dbraw/zinc/35/86/45/346358645.db2.gz YEDIVGUUADVNIU-BDAKNGLRSA-N 0 0 234.321 -0.160 20 70 BBIDRN CC(=O)NC[C@@H]1CCC[C@H]1NS(C)(=O)=O ZINC000160247173 346358845 /nfs/dbraw/zinc/35/88/45/346358845.db2.gz YEDIVGUUADVNIU-DTWKUNHWSA-N 0 0 234.321 -0.160 20 70 BBIDRN CC(=O)NC[C@H]1CCC[C@H]1NS(C)(=O)=O ZINC000160247293 346358450 /nfs/dbraw/zinc/35/84/50/346358450.db2.gz YEDIVGUUADVNIU-RKDXNWHRSA-N 0 0 234.321 -0.160 20 70 BBIDRN O=S(=O)([N-]CC(F)(F)F)N[C@H]1CC[NH2+]C1 ZINC000160248940 323064455 /nfs/dbraw/zinc/06/44/55/323064455.db2.gz SGIDADOMBQPGRI-YFKPBYRVSA-N 0 0 247.242 -0.665 20 70 BBIDRN C[C@@H](CO)[C@@H](C)NC(=O)Cn1cncn1 ZINC000160269232 538883887 /nfs/dbraw/zinc/88/38/87/538883887.db2.gz QBBNQFOXHGRXLU-JGVFFNPUSA-N 0 0 212.253 -0.589 20 70 BBIDRN C[C@@H](NC(=O)Cn1cncn1)[C@H](C)CO ZINC000160269335 538883978 /nfs/dbraw/zinc/88/39/78/538883978.db2.gz QBBNQFOXHGRXLU-HTQZYQBOSA-N 0 0 212.253 -0.589 20 70 BBIDRN C[C@@H](CO)[C@H](C)NC(=O)Cn1cncn1 ZINC000160269437 538884258 /nfs/dbraw/zinc/88/42/58/538884258.db2.gz QBBNQFOXHGRXLU-YUMQZZPRSA-N 0 0 212.253 -0.589 20 70 BBIDRN C[C@H](CO)[C@H](C)NC(=O)Cn1cncn1 ZINC000160269539 538884222 /nfs/dbraw/zinc/88/42/22/538884222.db2.gz QBBNQFOXHGRXLU-SFYZADRCSA-N 0 0 212.253 -0.589 20 70 BBIDRN CCNC(=O)CNC(=O)C(C)(C)COC ZINC000160273509 170062060 /nfs/dbraw/zinc/06/20/60/170062060.db2.gz GFCQWHVRDGPQQC-UHFFFAOYSA-N 0 0 216.281 -0.089 20 70 BBIDRN COC(=O)[C@@H]1C[C@@H]1C(=O)NC1(CO)CC1 ZINC000160285422 384533218 /nfs/dbraw/zinc/53/32/18/384533218.db2.gz RUVZZZVRAVJIKL-NKWVEPMBSA-N 0 0 213.233 -0.563 20 70 BBIDRN COC(=O)[C@H]1C[C@@H]1C(=O)NC1(CO)CC1 ZINC000160285570 384532107 /nfs/dbraw/zinc/53/21/07/384532107.db2.gz RUVZZZVRAVJIKL-BQBZGAKWSA-N 0 0 213.233 -0.563 20 70 BBIDRN COC(=O)[C@@H]1C[C@H]1C(=O)NC1(CO)CC1 ZINC000160285698 384532024 /nfs/dbraw/zinc/53/20/24/384532024.db2.gz RUVZZZVRAVJIKL-RNFRBKRXSA-N 0 0 213.233 -0.563 20 70 BBIDRN COC(=O)[C@H]1C[C@H]1C(=O)NC1(CO)CC1 ZINC000160285842 134840504 /nfs/dbraw/zinc/84/05/04/134840504.db2.gz RUVZZZVRAVJIKL-RQJHMYQMSA-N 0 0 213.233 -0.563 20 70 BBIDRN CCN(CCCO)C(=O)[C@@H](C)NC(C)=O ZINC000160288140 388056806 /nfs/dbraw/zinc/05/68/06/388056806.db2.gz SVTYIKUSAAMEEI-MRVPVSSYSA-N 0 0 216.281 -0.258 20 70 BBIDRN CCN(CCCO)C(=O)[C@H](C)NC(C)=O ZINC000160288282 388056041 /nfs/dbraw/zinc/05/60/41/388056041.db2.gz SVTYIKUSAAMEEI-QMMMGPOBSA-N 0 0 216.281 -0.258 20 70 BBIDRN CCN(CCCO)C(=O)CNC(C)=O ZINC000160292580 388056645 /nfs/dbraw/zinc/05/66/45/388056645.db2.gz CRQLXIBLDPTGBU-UHFFFAOYSA-N 0 0 202.254 -0.647 20 70 BBIDRN CCOC(=O)C[C@@H](C)NC(=O)CC(=O)N(C)C ZINC000160293128 384647181 /nfs/dbraw/zinc/64/71/81/384647181.db2.gz DRRNIQRHKKUJLX-MRVPVSSYSA-N 0 0 244.291 -0.077 20 70 BBIDRN CCOC(=O)C[C@H](C)NC(=O)CC(=O)N(C)C ZINC000160293269 384636573 /nfs/dbraw/zinc/63/65/73/384636573.db2.gz DRRNIQRHKKUJLX-QMMMGPOBSA-N 0 0 244.291 -0.077 20 70 BBIDRN CCN(CCCO)C(=O)[C@@H]1CCC(=O)N1 ZINC000160296288 169831276 /nfs/dbraw/zinc/83/12/76/169831276.db2.gz QWOWVOSICZSWRC-QMMMGPOBSA-N 0 0 214.265 -0.504 20 70 BBIDRN CCN(CCCO)C(=O)[C@H]1CCC(=O)N1 ZINC000160296414 388056592 /nfs/dbraw/zinc/05/65/92/388056592.db2.gz QWOWVOSICZSWRC-MRVPVSSYSA-N 0 0 214.265 -0.504 20 70 BBIDRN CCOC(=O)CNC(=O)c1cccc(=O)n1C ZINC000160298459 170224729 /nfs/dbraw/zinc/22/47/29/170224729.db2.gz PSJDKFUUCHADKU-UHFFFAOYSA-N 0 0 238.243 -0.322 20 70 BBIDRN CCN(CCCO)C(=O)COCCOC ZINC000160299728 384674742 /nfs/dbraw/zinc/67/47/42/384674742.db2.gz BDLGFNDQHVUYRZ-UHFFFAOYSA-N 0 0 219.281 -0.120 20 70 BBIDRN CCN(CCCO)C(=O)Cn1cncn1 ZINC000160308393 538883829 /nfs/dbraw/zinc/88/38/29/538883829.db2.gz ZTISQZFLGVKSEU-UHFFFAOYSA-N 0 0 212.253 -0.491 20 70 BBIDRN CC[C@@H](COC)NS(=O)(=O)N(C)C ZINC000160312412 388056670 /nfs/dbraw/zinc/05/66/70/388056670.db2.gz VGQYBILOBIRWPG-ZETCQYMHSA-N 0 0 210.299 -0.193 20 70 BBIDRN CC[C@H](COC)NS(=O)(=O)N(C)C ZINC000160312545 386575512 /nfs/dbraw/zinc/57/55/12/386575512.db2.gz VGQYBILOBIRWPG-SSDOTTSWSA-N 0 0 210.299 -0.193 20 70 BBIDRN CC[C@@H](COC)NS(=O)(=O)CCOC ZINC000160314812 323064629 /nfs/dbraw/zinc/06/46/29/323064629.db2.gz GNVWDMJGEMHBTK-QMMMGPOBSA-N 0 0 225.310 -0.023 20 70 BBIDRN CC[C@H](COC)NS(=O)(=O)CCOC ZINC000160314926 323075406 /nfs/dbraw/zinc/07/54/06/323075406.db2.gz GNVWDMJGEMHBTK-MRVPVSSYSA-N 0 0 225.310 -0.023 20 70 BBIDRN CCN(CCCO)C(=O)[C@@H](C)NC(N)=O ZINC000160316220 388058603 /nfs/dbraw/zinc/05/86/03/388058603.db2.gz OMIPRMDNOPSJGG-SSDOTTSWSA-N 0 0 217.269 -0.726 20 70 BBIDRN CCN(CCCO)C(=O)[C@H](C)NC(N)=O ZINC000160316354 388058738 /nfs/dbraw/zinc/05/87/38/388058738.db2.gz OMIPRMDNOPSJGG-ZETCQYMHSA-N 0 0 217.269 -0.726 20 70 BBIDRN CCN(CCCO)C(=O)CN(C)C(C)=O ZINC000160317775 169829666 /nfs/dbraw/zinc/82/96/66/169829666.db2.gz YTTYDJDYAHURSB-UHFFFAOYSA-N 0 0 216.281 -0.304 20 70 BBIDRN CCN(CCCO)C(=O)[C@@H](C)S(C)(=O)=O ZINC000160318057 386349694 /nfs/dbraw/zinc/34/96/94/386349694.db2.gz WQOCGZPABKJCIO-MRVPVSSYSA-N 0 0 237.321 -0.350 20 70 BBIDRN CCN(CCCO)C(=O)[C@H](C)S(C)(=O)=O ZINC000160318174 384400117 /nfs/dbraw/zinc/40/01/17/384400117.db2.gz WQOCGZPABKJCIO-QMMMGPOBSA-N 0 0 237.321 -0.350 20 70 BBIDRN CCN(CCCO)C(=O)CS(C)(=O)=O ZINC000160318579 388057904 /nfs/dbraw/zinc/05/79/04/388057904.db2.gz FBWGKGNDARRZNN-UHFFFAOYSA-N 0 0 223.294 -0.738 20 70 BBIDRN CCN(CCCO)C(=O)[C@@H]1COCCO1 ZINC000160322769 388058588 /nfs/dbraw/zinc/05/85/88/388058588.db2.gz NUFTUNKVMWTIBT-VIFPVBQESA-N 0 0 217.265 -0.367 20 70 BBIDRN CCN(CCCO)C(=O)[C@H]1COCCO1 ZINC000160322857 388058606 /nfs/dbraw/zinc/05/86/06/388058606.db2.gz NUFTUNKVMWTIBT-SECBINFHSA-N 0 0 217.265 -0.367 20 70 BBIDRN CCN(C)S(=O)(=O)NC[C@@](C)(O)CC ZINC000160332200 387082969 /nfs/dbraw/zinc/08/29/69/387082969.db2.gz MCCQDPXOAPEQLE-QMMMGPOBSA-N 0 0 224.326 -0.067 20 70 BBIDRN CCN(C)S(=O)(=O)NC[C@](C)(O)CC ZINC000160332343 387082428 /nfs/dbraw/zinc/08/24/28/387082428.db2.gz MCCQDPXOAPEQLE-MRVPVSSYSA-N 0 0 224.326 -0.067 20 70 BBIDRN Cc1c(C(=O)NC2(CO)CC2)cnn1C ZINC000160337121 201710106 /nfs/dbraw/zinc/71/01/06/201710106.db2.gz NNZGEJMBSBUBTG-UHFFFAOYSA-N 0 0 209.249 -0.017 20 70 BBIDRN COCCN(CCO)C(=O)[C@@H]1CCCO1 ZINC000160339259 361305716 /nfs/dbraw/zinc/30/57/16/361305716.db2.gz HGMCRZBMPYEAIO-VIFPVBQESA-N 0 0 217.265 -0.367 20 70 BBIDRN COCCN(CCO)C(=O)[C@H]1CCCO1 ZINC000160339395 361305343 /nfs/dbraw/zinc/30/53/43/361305343.db2.gz HGMCRZBMPYEAIO-SECBINFHSA-N 0 0 217.265 -0.367 20 70 BBIDRN COCCN(CCO)C(=O)[C@H](C)OC ZINC000160341812 136276390 /nfs/dbraw/zinc/27/63/90/136276390.db2.gz SYOIBEDCXZQLLF-QMMMGPOBSA-N 0 0 205.254 -0.511 20 70 BBIDRN COCCN(CCO)C(=O)[C@@H](C)OC ZINC000160341953 136276401 /nfs/dbraw/zinc/27/64/01/136276401.db2.gz SYOIBEDCXZQLLF-MRVPVSSYSA-N 0 0 205.254 -0.511 20 70 BBIDRN COCCC(=O)N(CCO)CCOC ZINC000160342918 174122192 /nfs/dbraw/zinc/12/21/92/174122192.db2.gz MEMSLJHWENUMIA-UHFFFAOYSA-N 0 0 205.254 -0.510 20 70 BBIDRN CCOCCC(=O)N(CCO)CCOC ZINC000160343057 170357692 /nfs/dbraw/zinc/35/76/92/170357692.db2.gz UWROKOHEBSPOHA-UHFFFAOYSA-N 0 0 219.281 -0.120 20 70 BBIDRN COCCCC(=O)N(CCO)CCOC ZINC000160345989 136221469 /nfs/dbraw/zinc/22/14/69/136221469.db2.gz FNXUVFPLZDRGHT-UHFFFAOYSA-N 0 0 219.281 -0.120 20 70 BBIDRN COCCN(CCO)C(=O)[C@@H]1CCOC1 ZINC000160347508 174291734 /nfs/dbraw/zinc/29/17/34/174291734.db2.gz JTMGTMVLPSXXSC-SECBINFHSA-N 0 0 217.265 -0.510 20 70 BBIDRN COCCN(CCO)C(=O)[C@H]1CCOC1 ZINC000160347619 174291836 /nfs/dbraw/zinc/29/18/36/174291836.db2.gz JTMGTMVLPSXXSC-VIFPVBQESA-N 0 0 217.265 -0.510 20 70 BBIDRN Cn1nccc1CN1CCC[C@H]1C(N)=O ZINC000160353119 356466229 /nfs/dbraw/zinc/46/62/29/356466229.db2.gz JJTZBMFMZLIPKI-VIFPVBQESA-N 0 0 208.265 -0.130 20 70 BBIDRN C[C@H](NC(N)=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160366582 384404997 /nfs/dbraw/zinc/40/49/97/384404997.db2.gz OAGOSYDRCDYHLJ-XHNCKOQMSA-N 0 0 240.307 -0.604 20 70 BBIDRN C[C@@H](CNS(C)(=O)=O)CN1CCOCC1 ZINC000160370656 386811597 /nfs/dbraw/zinc/81/15/97/386811597.db2.gz DRDVMOFLNXWITL-VIFPVBQESA-N 0 0 236.337 -0.496 20 70 BBIDRN C[C@H](CNS(C)(=O)=O)CN1CCOCC1 ZINC000160370772 386813556 /nfs/dbraw/zinc/81/35/56/386813556.db2.gz DRDVMOFLNXWITL-SECBINFHSA-N 0 0 236.337 -0.496 20 70 BBIDRN COC(=O)NCC(=O)NC[C@H](C)CO ZINC000160405442 173656103 /nfs/dbraw/zinc/65/61/03/173656103.db2.gz JFYRPMQXCYXOBF-LURJTMIESA-N 0 0 204.226 -0.913 20 70 BBIDRN COC(=O)NCC(=O)NC[C@@H](C)CO ZINC000160405548 384407265 /nfs/dbraw/zinc/40/72/65/384407265.db2.gz JFYRPMQXCYXOBF-ZCFIWIBFSA-N 0 0 204.226 -0.913 20 70 BBIDRN C[C@H](CO)CNC(=O)COC[C@@H]1CCCO1 ZINC000160412637 538884816 /nfs/dbraw/zinc/88/48/16/538884816.db2.gz LLACDLYOKPNFSR-UWVGGRQHSA-N 0 0 231.292 -0.073 20 70 BBIDRN C[C@@H](CO)CNC(=O)COC[C@@H]1CCCO1 ZINC000160412758 538884552 /nfs/dbraw/zinc/88/45/52/538884552.db2.gz LLACDLYOKPNFSR-ZJUUUORDSA-N 0 0 231.292 -0.073 20 70 BBIDRN C[C@H](CO)CNC(=O)COC[C@H]1CCCO1 ZINC000160412872 538884518 /nfs/dbraw/zinc/88/45/18/538884518.db2.gz LLACDLYOKPNFSR-VHSXEESVSA-N 0 0 231.292 -0.073 20 70 BBIDRN C[C@@H](CO)CNC(=O)COC[C@H]1CCCO1 ZINC000160412967 538884803 /nfs/dbraw/zinc/88/48/03/538884803.db2.gz LLACDLYOKPNFSR-NXEZZACHSA-N 0 0 231.292 -0.073 20 70 BBIDRN CCCS(=O)(=O)CC(=O)NC[C@@H](C)CO ZINC000160429148 323066320 /nfs/dbraw/zinc/06/63/20/323066320.db2.gz NTZGGPOKCRZMGX-MRVPVSSYSA-N 0 0 237.321 -0.444 20 70 BBIDRN CCCS(=O)(=O)CC(=O)NC[C@H](C)CO ZINC000160429297 323066322 /nfs/dbraw/zinc/06/63/22/323066322.db2.gz NTZGGPOKCRZMGX-QMMMGPOBSA-N 0 0 237.321 -0.444 20 70 BBIDRN COC(=O)CN1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000160435548 356973315 /nfs/dbraw/zinc/97/33/15/356973315.db2.gz OOUBNEGDXLQMFJ-RKDXNWHRSA-N 0 0 226.276 -0.240 20 70 BBIDRN COC(=O)CN1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000160435660 356973556 /nfs/dbraw/zinc/97/35/56/356973556.db2.gz OOUBNEGDXLQMFJ-BDAKNGLRSA-N 0 0 226.276 -0.240 20 70 BBIDRN CN(Cc1cccn1C)C(=O)Cn1cnnn1 ZINC000160435988 491078587 /nfs/dbraw/zinc/07/85/87/491078587.db2.gz NTZYJQUAAVLBRQ-UHFFFAOYSA-N 0 0 234.263 -0.330 20 70 BBIDRN C[C@@H]([NH3+])C(=O)N1CCN(C2CC2)C(=O)C1 ZINC000160437343 388067496 /nfs/dbraw/zinc/06/74/96/388067496.db2.gz NHJJZWKJFMENNF-SSDOTTSWSA-N 0 0 211.265 -0.833 20 70 BBIDRN CC(C)S(=O)(=O)CC(=O)NC[C@@H](C)CO ZINC000160447019 167317058 /nfs/dbraw/zinc/31/70/58/167317058.db2.gz UIDUTDSNDOQXBT-MRVPVSSYSA-N 0 0 237.321 -0.446 20 70 BBIDRN CC(C)S(=O)(=O)CC(=O)NC[C@H](C)CO ZINC000160447142 167317561 /nfs/dbraw/zinc/31/75/61/167317561.db2.gz UIDUTDSNDOQXBT-QMMMGPOBSA-N 0 0 237.321 -0.446 20 70 BBIDRN CNC(=O)CCNC(=O)c1cc(C)ncn1 ZINC000160451065 323066553 /nfs/dbraw/zinc/06/65/53/323066553.db2.gz BWFXFUIUXBYPFE-UHFFFAOYSA-N 0 0 222.248 -0.349 20 70 BBIDRN COC(=O)[C@H]1C[C@H]1C(=O)N(C)[C@@H](C)CO ZINC000160477814 388070051 /nfs/dbraw/zinc/07/00/51/388070051.db2.gz ZTLXFKANYROZQH-RNJXMRFFSA-N 0 0 215.249 -0.365 20 70 BBIDRN COC(=O)[C@H]1C[C@H]1C(=O)N(C)[C@H](C)CO ZINC000160477946 201720187 /nfs/dbraw/zinc/72/01/87/201720187.db2.gz ZTLXFKANYROZQH-PRJMDXOYSA-N 0 0 215.249 -0.365 20 70 BBIDRN CCCS(=O)(=O)CC(=O)N(C)[C@@H](C)CO ZINC000160487531 169328604 /nfs/dbraw/zinc/32/86/04/169328604.db2.gz PPRFOMBMCWVIFV-QMMMGPOBSA-N 0 0 237.321 -0.350 20 70 BBIDRN CCCS(=O)(=O)CC(=O)N(C)[C@H](C)CO ZINC000160487628 169328589 /nfs/dbraw/zinc/32/85/89/169328589.db2.gz PPRFOMBMCWVIFV-MRVPVSSYSA-N 0 0 237.321 -0.350 20 70 BBIDRN CCn1cc(CN2CCNC(=O)C2)cn1 ZINC000160489112 172164950 /nfs/dbraw/zinc/16/49/50/172164950.db2.gz MQPTWJLAHIADDC-UHFFFAOYSA-N 0 0 208.265 -0.165 20 70 BBIDRN O=C1CN(Cc2cnc3cnccn23)CCN1 ZINC000160489660 384415854 /nfs/dbraw/zinc/41/58/54/384415854.db2.gz JTIHHHZLDJJSTH-UHFFFAOYSA-N 0 0 231.259 -0.339 20 70 BBIDRN CCN(CC)S(=O)(=O)N[C@@H]1CCN(C)C1=O ZINC000160496496 323069437 /nfs/dbraw/zinc/06/94/37/323069437.db2.gz IGTPRQZPMHGOBJ-MRVPVSSYSA-N 0 0 249.336 -0.607 20 70 BBIDRN CCN(CC)S(=O)(=O)N[C@H]1CCN(C)C1=O ZINC000160496629 323069387 /nfs/dbraw/zinc/06/93/87/323069387.db2.gz IGTPRQZPMHGOBJ-QMMMGPOBSA-N 0 0 249.336 -0.607 20 70 BBIDRN CCCS(=O)(=O)N[C@@H]1CCN(C)C1=O ZINC000160497809 323069432 /nfs/dbraw/zinc/06/94/32/323069432.db2.gz RPFOKMCHWYGWME-SSDOTTSWSA-N 0 0 220.294 -0.454 20 70 BBIDRN CCCS(=O)(=O)N[C@H]1CCN(C)C1=O ZINC000160497925 323069348 /nfs/dbraw/zinc/06/93/48/323069348.db2.gz RPFOKMCHWYGWME-ZETCQYMHSA-N 0 0 220.294 -0.454 20 70 BBIDRN COC(=O)NCCCC(=O)N(C)[C@@H](C)CO ZINC000160499648 323069368 /nfs/dbraw/zinc/06/93/68/323069368.db2.gz SQMWZIGWEZKAFK-QMMMGPOBSA-N 0 0 232.280 -0.038 20 70 BBIDRN COC(=O)NCCCC(=O)N(C)[C@H](C)CO ZINC000160499760 323069427 /nfs/dbraw/zinc/06/94/27/323069427.db2.gz SQMWZIGWEZKAFK-MRVPVSSYSA-N 0 0 232.280 -0.038 20 70 BBIDRN C[C@@H](CO)N(C)C(=O)CCN1CCCC1=O ZINC000160499892 538884937 /nfs/dbraw/zinc/88/49/37/538884937.db2.gz QWQMJJMEUASIRD-VIFPVBQESA-N 0 0 228.292 -0.162 20 70 BBIDRN C[C@H](CO)N(C)C(=O)CCN1CCCC1=O ZINC000160500001 538884782 /nfs/dbraw/zinc/88/47/82/538884782.db2.gz QWQMJJMEUASIRD-SECBINFHSA-N 0 0 228.292 -0.162 20 70 BBIDRN COc1c(CN2CCNC(=O)C2)c(C)nn1C ZINC000160502657 387115670 /nfs/dbraw/zinc/11/56/70/387115670.db2.gz KGYYJOUMEBTAJT-UHFFFAOYSA-N 0 0 238.291 -0.331 20 70 BBIDRN CC(=O)N1CSC[C@H]1C(=O)NC[C@H](C)CO ZINC000160508093 387122849 /nfs/dbraw/zinc/12/28/49/387122849.db2.gz BMVPVVSYPOOZQC-CBAPKCEASA-N 0 0 246.332 -0.348 20 70 BBIDRN CC(=O)N1CSC[C@H]1C(=O)NC[C@@H](C)CO ZINC000160508240 387122170 /nfs/dbraw/zinc/12/21/70/387122170.db2.gz BMVPVVSYPOOZQC-APPZFPTMSA-N 0 0 246.332 -0.348 20 70 BBIDRN COC(=O)c1cc(CN2CCNC(=O)C2)c[nH]1 ZINC000160508263 384418990 /nfs/dbraw/zinc/41/89/90/384418990.db2.gz PFUGLEBPDKFDQB-UHFFFAOYSA-N 0 0 237.259 -0.267 20 70 BBIDRN CC(=O)N1CSC[C@@H]1C(=O)NC[C@H](C)CO ZINC000160508361 201720281 /nfs/dbraw/zinc/72/02/81/201720281.db2.gz BMVPVVSYPOOZQC-IONNQARKSA-N 0 0 246.332 -0.348 20 70 BBIDRN CC(=O)N1CSC[C@@H]1C(=O)NC[C@@H](C)CO ZINC000160508506 387122275 /nfs/dbraw/zinc/12/22/75/387122275.db2.gz BMVPVVSYPOOZQC-VXNVDRBHSA-N 0 0 246.332 -0.348 20 70 BBIDRN C[C@H](CO)CNC(=O)c1ccc(C(N)=O)cn1 ZINC000160508642 384418601 /nfs/dbraw/zinc/41/86/01/384418601.db2.gz VZVHDVYBFZCKHE-ZETCQYMHSA-N 0 0 237.259 -0.461 20 70 BBIDRN C[C@@H](CO)CNC(=O)c1ccc(C(N)=O)cn1 ZINC000160508761 384417119 /nfs/dbraw/zinc/41/71/19/384417119.db2.gz VZVHDVYBFZCKHE-SSDOTTSWSA-N 0 0 237.259 -0.461 20 70 BBIDRN CO[C@H](C)C(=O)N(CC(N)=O)C(C)C ZINC000160509633 388072160 /nfs/dbraw/zinc/07/21/60/388072160.db2.gz UMVAJIFQUNIYSP-SSDOTTSWSA-N 0 0 202.254 -0.256 20 70 BBIDRN CO[C@@H](C)C(=O)N(CC(N)=O)C(C)C ZINC000160509751 384416840 /nfs/dbraw/zinc/41/68/40/384416840.db2.gz UMVAJIFQUNIYSP-ZETCQYMHSA-N 0 0 202.254 -0.256 20 70 BBIDRN CO[C@@H](C)C(=O)N1CCN(CCO)CC1 ZINC000160514048 388071817 /nfs/dbraw/zinc/07/18/17/388071817.db2.gz WTWDIQIECRMHOA-VIFPVBQESA-N 0 0 216.281 -0.842 20 70 BBIDRN CO[C@H](C)C(=O)N1CCN(CCO)CC1 ZINC000160514173 361317642 /nfs/dbraw/zinc/31/76/42/361317642.db2.gz WTWDIQIECRMHOA-SECBINFHSA-N 0 0 216.281 -0.842 20 70 BBIDRN C[NH2+]CCN(C)S(=O)(=O)[N-]CC(F)(F)F ZINC000160515581 343203487 /nfs/dbraw/zinc/20/34/87/343203487.db2.gz FYQQOZQCGIWTQH-UHFFFAOYSA-N 0 0 249.258 -0.466 20 70 BBIDRN CCCNS(=O)(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000160517114 169271656 /nfs/dbraw/zinc/27/16/56/169271656.db2.gz JUTMXJDFMIOEAX-IUCAKERBSA-N 0 0 235.353 -0.087 20 70 BBIDRN CC(C)S(=O)(=O)CCCN1CCNC(=O)C1 ZINC000160520532 167317220 /nfs/dbraw/zinc/31/72/20/167317220.db2.gz HCIVNGHYVOUXJH-UHFFFAOYSA-N 0 0 248.348 -0.369 20 70 BBIDRN CCc1cc(=O)[nH]c(CN2CCNC(=O)C2)n1 ZINC000160521069 384417540 /nfs/dbraw/zinc/41/75/40/384417540.db2.gz KQDHWDVGTAMXHL-UHFFFAOYSA-N 0 0 236.275 -0.324 20 70 BBIDRN COC(=O)[C@H]1C[C@H]1C(=O)NC[C@H](C)CO ZINC000160529063 200722691 /nfs/dbraw/zinc/72/26/91/200722691.db2.gz SXQDQFRJYWMTOO-RNJXMRFFSA-N 0 0 215.249 -0.460 20 70 BBIDRN COC(=O)[C@H]1C[C@H]1C(=O)NC[C@@H](C)CO ZINC000160529208 388073862 /nfs/dbraw/zinc/07/38/62/388073862.db2.gz SXQDQFRJYWMTOO-PRJMDXOYSA-N 0 0 215.249 -0.460 20 70 BBIDRN COCCOCCNC(=O)[C@H](C)OC ZINC000160550951 388073745 /nfs/dbraw/zinc/07/37/45/388073745.db2.gz ZUKJKAWHSQNSMZ-QMMMGPOBSA-N 0 0 205.254 -0.200 20 70 BBIDRN COC(=O)NCC(=O)N(C)[C@@H](C)CO ZINC000160567045 397771006 /nfs/dbraw/zinc/77/10/06/397771006.db2.gz YNQYWEXTOPCZSA-LURJTMIESA-N 0 0 204.226 -0.818 20 70 BBIDRN COC(=O)NCC(=O)N(C)[C@H](C)CO ZINC000160567189 397770933 /nfs/dbraw/zinc/77/09/33/397770933.db2.gz YNQYWEXTOPCZSA-ZCFIWIBFSA-N 0 0 204.226 -0.818 20 70 BBIDRN CC[C@@H]1C(=O)NCCN1C(=O)[C@@H](C)OC ZINC000160611137 357130902 /nfs/dbraw/zinc/13/09/02/357130902.db2.gz JYAYGUFJORVTTM-HTQZYQBOSA-N 0 0 214.265 -0.242 20 70 BBIDRN CC[C@H]1C(=O)NCCN1C(=O)[C@@H](C)OC ZINC000160611227 357130594 /nfs/dbraw/zinc/13/05/94/357130594.db2.gz JYAYGUFJORVTTM-SFYZADRCSA-N 0 0 214.265 -0.242 20 70 BBIDRN CC[C@@H]1C(=O)NCCN1C(=O)[C@H](C)OC ZINC000160611310 357130517 /nfs/dbraw/zinc/13/05/17/357130517.db2.gz JYAYGUFJORVTTM-JGVFFNPUSA-N 0 0 214.265 -0.242 20 70 BBIDRN CC[C@H]1C(=O)NCCN1C(=O)[C@H](C)OC ZINC000160611466 357130916 /nfs/dbraw/zinc/13/09/16/357130916.db2.gz JYAYGUFJORVTTM-YUMQZZPRSA-N 0 0 214.265 -0.242 20 70 BBIDRN CO[C@H](C)C(=O)N[C@@H](C)CS(C)(=O)=O ZINC000160623172 388079348 /nfs/dbraw/zinc/07/93/48/388079348.db2.gz HZKGMKLPQQAPQC-NKWVEPMBSA-N 0 0 223.294 -0.429 20 70 BBIDRN CO[C@H](C)C(=O)N[C@H](C)CS(C)(=O)=O ZINC000160623310 201724798 /nfs/dbraw/zinc/72/47/98/201724798.db2.gz HZKGMKLPQQAPQC-RNFRBKRXSA-N 0 0 223.294 -0.429 20 70 BBIDRN CO[C@@H](C)C(=O)N[C@@H](C)CS(C)(=O)=O ZINC000160623445 201723582 /nfs/dbraw/zinc/72/35/82/201723582.db2.gz HZKGMKLPQQAPQC-BQBZGAKWSA-N 0 0 223.294 -0.429 20 70 BBIDRN CO[C@@H](C)C(=O)N[C@H](C)CS(C)(=O)=O ZINC000160623562 388079734 /nfs/dbraw/zinc/07/97/34/388079734.db2.gz HZKGMKLPQQAPQC-RQJHMYQMSA-N 0 0 223.294 -0.429 20 70 BBIDRN CO[C@@H](C)C(=O)NCCCc1nnc[nH]1 ZINC000160646153 323074400 /nfs/dbraw/zinc/07/44/00/323074400.db2.gz UCMUBOLFAVADSA-ZETCQYMHSA-N 0 0 212.253 -0.112 20 70 BBIDRN CO[C@H](C)C(=O)NCCCc1nnc[nH]1 ZINC000160646262 323074386 /nfs/dbraw/zinc/07/43/86/323074386.db2.gz UCMUBOLFAVADSA-SSDOTTSWSA-N 0 0 212.253 -0.112 20 70 BBIDRN CCCNS(=O)(=O)N[C@@H](CC)CO ZINC000160656193 535176836 /nfs/dbraw/zinc/17/68/36/535176836.db2.gz INJJHYDNFLFGEZ-ZETCQYMHSA-N 0 0 210.299 -0.409 20 70 BBIDRN CCCNS(=O)(=O)N[C@H](CC)CO ZINC000160656296 357159533 /nfs/dbraw/zinc/15/95/33/357159533.db2.gz INJJHYDNFLFGEZ-SSDOTTSWSA-N 0 0 210.299 -0.409 20 70 BBIDRN O=S(=O)(NC[C@@H](O)COCC1CC1)C1CC1 ZINC000160656803 388082173 /nfs/dbraw/zinc/08/21/73/388082173.db2.gz JEEUMVLWTMEHRF-SECBINFHSA-N 0 0 249.332 -0.144 20 70 BBIDRN O=S(=O)(NC[C@H](O)COCC1CC1)C1CC1 ZINC000160656930 388081418 /nfs/dbraw/zinc/08/14/18/388081418.db2.gz JEEUMVLWTMEHRF-VIFPVBQESA-N 0 0 249.332 -0.144 20 70 BBIDRN CC(C)c1cc(=O)n(CC(=O)NC(N)=O)cn1 ZINC000160657219 384425185 /nfs/dbraw/zinc/42/51/85/384425185.db2.gz PERUFSGFNNHBQH-UHFFFAOYSA-N 0 0 238.247 -0.438 20 70 BBIDRN CNS(=O)(=O)NC[C@H](O)c1ccccc1 ZINC000160659085 388080917 /nfs/dbraw/zinc/08/09/17/388080917.db2.gz WTYZJGFFIJHRKD-VIFPVBQESA-N 0 0 230.289 -0.226 20 70 BBIDRN CNS(=O)(=O)NC[C@@H](O)c1ccccc1 ZINC000160659212 384365755 /nfs/dbraw/zinc/36/57/55/384365755.db2.gz WTYZJGFFIJHRKD-SECBINFHSA-N 0 0 230.289 -0.226 20 70 BBIDRN CCCNS(=O)(=O)N(CC)CCO ZINC000160663350 387466878 /nfs/dbraw/zinc/46/68/78/387466878.db2.gz PYQQEQNHDZNNKN-UHFFFAOYSA-N 0 0 210.299 -0.455 20 70 BBIDRN CNS(=O)(=O)N[C@H](CO)CC(C)C ZINC000160666451 388082575 /nfs/dbraw/zinc/08/25/75/388082575.db2.gz CFSJIXRGTKYDMW-ZETCQYMHSA-N 0 0 210.299 -0.553 20 70 BBIDRN CNS(=O)(=O)N[C@@H](CO)CC(C)C ZINC000160666545 173407012 /nfs/dbraw/zinc/40/70/12/173407012.db2.gz CFSJIXRGTKYDMW-SSDOTTSWSA-N 0 0 210.299 -0.553 20 70 BBIDRN CCCCN(CCO)S(=O)(=O)NC ZINC000160669044 388082830 /nfs/dbraw/zinc/08/28/30/388082830.db2.gz LSJCNNORPBVUIH-UHFFFAOYSA-N 0 0 210.299 -0.455 20 70 BBIDRN CCCNS(=O)(=O)N(C)C[C@@H](C)O ZINC000160673066 169270714 /nfs/dbraw/zinc/27/07/14/169270714.db2.gz TXVYEMNKMYHSGF-SSDOTTSWSA-N 0 0 210.299 -0.457 20 70 BBIDRN CCCNS(=O)(=O)N(C)C[C@H](C)O ZINC000160673204 169270954 /nfs/dbraw/zinc/27/09/54/169270954.db2.gz TXVYEMNKMYHSGF-ZETCQYMHSA-N 0 0 210.299 -0.457 20 70 BBIDRN CNS(=O)(=O)N[C@@H](CO)c1ccccc1 ZINC000160683932 388083779 /nfs/dbraw/zinc/08/37/79/388083779.db2.gz UTTCQQDAFQIWOI-VIFPVBQESA-N 0 0 230.289 -0.226 20 70 BBIDRN CNS(=O)(=O)N[C@H](CO)c1ccccc1 ZINC000160684056 388083890 /nfs/dbraw/zinc/08/38/90/388083890.db2.gz UTTCQQDAFQIWOI-SECBINFHSA-N 0 0 230.289 -0.226 20 70 BBIDRN CCCNS(=O)(=O)NC[C@H](O)C1CC1 ZINC000160684929 387511977 /nfs/dbraw/zinc/51/19/77/387511977.db2.gz DSXOAWHTXICXMS-QMMMGPOBSA-N 0 0 222.310 -0.409 20 70 BBIDRN CCCNS(=O)(=O)NC[C@@H](O)C1CC1 ZINC000160685054 387511868 /nfs/dbraw/zinc/51/18/68/387511868.db2.gz DSXOAWHTXICXMS-MRVPVSSYSA-N 0 0 222.310 -0.409 20 70 BBIDRN CNS(=O)(=O)NCc1cccc(CO)c1 ZINC000160685606 388084186 /nfs/dbraw/zinc/08/41/86/388084186.db2.gz ZJIHLDKPJXROSZ-UHFFFAOYSA-N 0 0 230.289 -0.267 20 70 BBIDRN CCCNS(=O)(=O)NCC[C@@H](C)O ZINC000160691796 387522192 /nfs/dbraw/zinc/52/21/92/387522192.db2.gz UEQSBDRHOZSCRO-SSDOTTSWSA-N 0 0 210.299 -0.409 20 70 BBIDRN CCCNS(=O)(=O)NCC[C@H](C)O ZINC000160691920 387522201 /nfs/dbraw/zinc/52/22/01/387522201.db2.gz UEQSBDRHOZSCRO-ZETCQYMHSA-N 0 0 210.299 -0.409 20 70 BBIDRN CCCNS(=O)(=O)NC[C@@H](C)CO ZINC000160692600 387527085 /nfs/dbraw/zinc/52/70/85/387527085.db2.gz JCZFVEZIKXLVBZ-SSDOTTSWSA-N 0 0 210.299 -0.551 20 70 BBIDRN CCCNS(=O)(=O)NC[C@H](C)CO ZINC000160692724 387526440 /nfs/dbraw/zinc/52/64/40/387526440.db2.gz JCZFVEZIKXLVBZ-ZETCQYMHSA-N 0 0 210.299 -0.551 20 70 BBIDRN CCCNS(=O)(=O)NC[C@](C)(O)CC ZINC000160694032 169271830 /nfs/dbraw/zinc/27/18/30/169271830.db2.gz OMHJGDHDMCAHRQ-MRVPVSSYSA-N 0 0 224.326 -0.019 20 70 BBIDRN CCCNS(=O)(=O)NC[C@@](C)(O)CC ZINC000160694142 169271749 /nfs/dbraw/zinc/27/17/49/169271749.db2.gz OMHJGDHDMCAHRQ-QMMMGPOBSA-N 0 0 224.326 -0.019 20 70 BBIDRN CCC(O)(CC)CNS(=O)(=O)NC ZINC000160694664 168423592 /nfs/dbraw/zinc/42/35/92/168423592.db2.gz WKLWCMWYJTYFRG-UHFFFAOYSA-N 0 0 210.299 -0.409 20 70 BBIDRN CNS(=O)(=O)NCC1(O)CCC(C)CC1 ZINC000160695366 488153428 /nfs/dbraw/zinc/15/34/28/488153428.db2.gz GBXWQICAZLFTMA-UHFFFAOYSA-N 0 0 236.337 -0.019 20 70 BBIDRN CCCNS(=O)(=O)NC[C@@H]1CCC[C@@H]1O ZINC000160698044 387532572 /nfs/dbraw/zinc/53/25/72/387532572.db2.gz ONIAEESOIPIWRS-IUCAKERBSA-N 0 0 236.337 -0.019 20 70 BBIDRN COCC(C)(C)C(=O)N[C@@H]1CCC(=O)NC1=O ZINC000160698052 174066545 /nfs/dbraw/zinc/06/65/45/174066545.db2.gz NRCJHHCVIHLWJW-SSDOTTSWSA-N 0 0 242.275 -0.420 20 70 BBIDRN CCCNS(=O)(=O)NC[C@H]1CCC[C@@H]1O ZINC000160698112 387525515 /nfs/dbraw/zinc/52/55/15/387525515.db2.gz ONIAEESOIPIWRS-BDAKNGLRSA-N 0 0 236.337 -0.019 20 70 BBIDRN COCC(C)(C)C(=O)N[C@H]1CCC(=O)NC1=O ZINC000160698138 174067442 /nfs/dbraw/zinc/06/74/42/174067442.db2.gz NRCJHHCVIHLWJW-ZETCQYMHSA-N 0 0 242.275 -0.420 20 70 BBIDRN CCCNS(=O)(=O)NC[C@@H]1CCC[C@H]1O ZINC000160698233 387527302 /nfs/dbraw/zinc/52/73/02/387527302.db2.gz ONIAEESOIPIWRS-DTWKUNHWSA-N 0 0 236.337 -0.019 20 70 BBIDRN CCCNS(=O)(=O)NC[C@H]1CCC[C@H]1O ZINC000160698313 387526864 /nfs/dbraw/zinc/52/68/64/387526864.db2.gz ONIAEESOIPIWRS-RKDXNWHRSA-N 0 0 236.337 -0.019 20 70 BBIDRN C[C@@H](CO)SCc1nc(N)nc(N)n1 ZINC000160702530 175759394 /nfs/dbraw/zinc/75/93/94/175759394.db2.gz FPEWLPOONVFXAY-BYPYZUCNSA-N 0 0 215.282 -0.350 20 70 BBIDRN C[C@H](CO)SCc1nc(N)nc(N)n1 ZINC000160702694 388085192 /nfs/dbraw/zinc/08/51/92/388085192.db2.gz FPEWLPOONVFXAY-SCSAIBSYSA-N 0 0 215.282 -0.350 20 70 BBIDRN CC[C@H](O)CCNC(=O)NCCNC(C)=O ZINC000160703692 384430722 /nfs/dbraw/zinc/43/07/22/384430722.db2.gz XIFOVYZFAHVWHO-VIFPVBQESA-N 0 0 231.296 -0.417 20 70 BBIDRN CC[C@@H](O)CCNC(=O)NCCNC(C)=O ZINC000160703799 349316385 /nfs/dbraw/zinc/31/63/85/349316385.db2.gz XIFOVYZFAHVWHO-SECBINFHSA-N 0 0 231.296 -0.417 20 70 BBIDRN CC(C)NS(=O)(=O)N1CC(O)(C2CC2)C1 ZINC000160705965 133509628 /nfs/dbraw/zinc/50/96/28/133509628.db2.gz OJSXYCWEKHSBOZ-UHFFFAOYSA-N 0 0 234.321 -0.314 20 70 BBIDRN CCCNS(=O)(=O)N1CC(O)(C2CC2)C1 ZINC000160706229 387553634 /nfs/dbraw/zinc/55/36/34/387553634.db2.gz XTMFGWXSSWMKEK-UHFFFAOYSA-N 0 0 234.321 -0.313 20 70 BBIDRN COCCN(CCOC)Cc1nncn1C ZINC000160708430 323103727 /nfs/dbraw/zinc/10/37/27/323103727.db2.gz BOYPEIGQSWJDCN-UHFFFAOYSA-N 0 0 228.296 -0.090 20 70 BBIDRN CC(C)NS(=O)(=O)N(C)CC1CC(O)C1 ZINC000160708830 201731623 /nfs/dbraw/zinc/73/16/23/201731623.db2.gz WEMZKFBQMAIJII-UHFFFAOYSA-N 0 0 236.337 -0.068 20 70 BBIDRN CCCNS(=O)(=O)N(C)CC1CC(O)C1 ZINC000160709132 387556120 /nfs/dbraw/zinc/55/61/20/387556120.db2.gz VXPRAMDMQWAICB-UHFFFAOYSA-N 0 0 236.337 -0.067 20 70 BBIDRN CCCNS(=O)(=O)NC[C@@H](C)CCO ZINC000160710957 169271852 /nfs/dbraw/zinc/27/18/52/169271852.db2.gz IHMMJCQRZDKQBU-QMMMGPOBSA-N 0 0 224.326 -0.161 20 70 BBIDRN CCCNS(=O)(=O)NC[C@H](C)CCO ZINC000160711106 169271728 /nfs/dbraw/zinc/27/17/28/169271728.db2.gz IHMMJCQRZDKQBU-MRVPVSSYSA-N 0 0 224.326 -0.161 20 70 BBIDRN CC(C)C[C@@H](CO)NC(=O)CN1CCOCC1 ZINC000160714543 188221447 /nfs/dbraw/zinc/22/14/47/188221447.db2.gz XTEMHVNKJIRFMN-NSHDSACASA-N 0 0 244.335 -0.158 20 70 BBIDRN CC(C)C[C@H](CO)NC(=O)CN1CCOCC1 ZINC000160714679 188220765 /nfs/dbraw/zinc/22/07/65/188220765.db2.gz XTEMHVNKJIRFMN-LLVKDONJSA-N 0 0 244.335 -0.158 20 70 BBIDRN C[C@@H](CO)SCC(=O)N1CCNC1=O ZINC000160716958 175758532 /nfs/dbraw/zinc/75/85/32/175758532.db2.gz AVQNQYZVHBYZNS-LURJTMIESA-N 0 0 218.278 -0.348 20 70 BBIDRN C[C@H](CO)SCC(=O)N1CCNC1=O ZINC000160717076 176708507 /nfs/dbraw/zinc/70/85/07/176708507.db2.gz AVQNQYZVHBYZNS-ZCFIWIBFSA-N 0 0 218.278 -0.348 20 70 BBIDRN CCNS(=O)(=O)N[C@H](CO)C(C)C ZINC000160717931 170136354 /nfs/dbraw/zinc/13/63/54/170136354.db2.gz WKJLXOFTOZFOPZ-SSDOTTSWSA-N 0 0 210.299 -0.553 20 70 BBIDRN CC(C)NS(=O)(=O)N[C@H](CO)C(C)C ZINC000160718047 219813876 /nfs/dbraw/zinc/81/38/76/219813876.db2.gz FOTVSAFVUAYIOW-MRVPVSSYSA-N 0 0 224.326 -0.164 20 70 BBIDRN CC(C)[C@@H](CO)NS(=O)(=O)NC1CC1 ZINC000160718328 387844898 /nfs/dbraw/zinc/84/48/98/387844898.db2.gz JQBHFZLFCDZNKD-MRVPVSSYSA-N 0 0 222.310 -0.410 20 70 BBIDRN CCCNS(=O)(=O)N[C@H](CO)C(C)C ZINC000160718740 219813987 /nfs/dbraw/zinc/81/39/87/219813987.db2.gz ZZDFHNVZWJMIDA-MRVPVSSYSA-N 0 0 224.326 -0.163 20 70 BBIDRN CCCNS(=O)(=O)N(C)CC(C)(C)O ZINC000160719351 387847969 /nfs/dbraw/zinc/84/79/69/387847969.db2.gz WUYLQRMGMFAPEH-UHFFFAOYSA-N 0 0 224.326 -0.067 20 70 BBIDRN CCCNS(=O)(=O)N[C@@H](C)CCCO ZINC000160720761 169271709 /nfs/dbraw/zinc/27/17/09/169271709.db2.gz CQPMUMPHZNPMLS-QMMMGPOBSA-N 0 0 224.326 -0.019 20 70 BBIDRN CCCNS(=O)(=O)N[C@H](C)CCCO ZINC000160720885 169272488 /nfs/dbraw/zinc/27/24/88/169272488.db2.gz CQPMUMPHZNPMLS-MRVPVSSYSA-N 0 0 224.326 -0.019 20 70 BBIDRN CC[C@@H](CCO)CNS(=O)(=O)NC ZINC000160721567 170817979 /nfs/dbraw/zinc/81/79/79/170817979.db2.gz SWPMNHPHXUGIDN-ZETCQYMHSA-N 0 0 210.299 -0.551 20 70 BBIDRN CC[C@H](CCO)CNS(=O)(=O)NC ZINC000160721681 388086372 /nfs/dbraw/zinc/08/63/72/388086372.db2.gz SWPMNHPHXUGIDN-SSDOTTSWSA-N 0 0 210.299 -0.551 20 70 BBIDRN CCCNS(=O)(=O)NCC(C)(C)CO ZINC000160725437 488154567 /nfs/dbraw/zinc/15/45/67/488154567.db2.gz UQEWIFGVQJOBTR-UHFFFAOYSA-N 0 0 224.326 -0.161 20 70 BBIDRN CCCNS(=O)(=O)NCC1(CO)CC1 ZINC000160725997 488154917 /nfs/dbraw/zinc/15/49/17/488154917.db2.gz QUZYEEOSJNJVBJ-UHFFFAOYSA-N 0 0 222.310 -0.407 20 70 BBIDRN C[C@@H](CO)SCCC(=O)NC(N)=O ZINC000160727580 388086306 /nfs/dbraw/zinc/08/63/06/388086306.db2.gz FIDINMVJIAOESF-YFKPBYRVSA-N 0 0 206.267 -0.315 20 70 BBIDRN C[C@H](CO)SCCC(=O)NC(N)=O ZINC000160727706 176708082 /nfs/dbraw/zinc/70/80/82/176708082.db2.gz FIDINMVJIAOESF-RXMQYKEDSA-N 0 0 206.267 -0.315 20 70 BBIDRN CCCNS(=O)(=O)N[C@@H](C)CCO ZINC000160728290 387275284 /nfs/dbraw/zinc/27/52/84/387275284.db2.gz LTSSGUPLTZVSON-ZETCQYMHSA-N 0 0 210.299 -0.409 20 70 BBIDRN CCCNS(=O)(=O)N[C@H](C)CCO ZINC000160728431 387275941 /nfs/dbraw/zinc/27/59/41/387275941.db2.gz LTSSGUPLTZVSON-SSDOTTSWSA-N 0 0 210.299 -0.409 20 70 BBIDRN CCCNS(=O)(=O)N1CC[C@H]([C@@H](C)O)C1 ZINC000160729923 387284313 /nfs/dbraw/zinc/28/43/13/387284313.db2.gz SMYQUKKQHOWYNR-BDAKNGLRSA-N 0 0 236.337 -0.067 20 70 BBIDRN CCCNS(=O)(=O)N1CC[C@@H]([C@@H](C)O)C1 ZINC000160730029 387282839 /nfs/dbraw/zinc/28/28/39/387282839.db2.gz SMYQUKKQHOWYNR-RKDXNWHRSA-N 0 0 236.337 -0.067 20 70 BBIDRN COCCN1CCN(Cc2nncn2C)CC1 ZINC000160731191 323104044 /nfs/dbraw/zinc/10/40/44/323104044.db2.gz RXZRGQZEUQAMRK-UHFFFAOYSA-N 0 0 239.323 -0.421 20 70 BBIDRN CCCNS(=O)(=O)N(C)[C@@H](C)CO ZINC000160736088 133509709 /nfs/dbraw/zinc/50/97/09/133509709.db2.gz AXRDDBDKUBIXFQ-ZETCQYMHSA-N 0 0 210.299 -0.457 20 70 BBIDRN CCCNS(=O)(=O)N(C)[C@H](C)CO ZINC000160736214 133509674 /nfs/dbraw/zinc/50/96/74/133509674.db2.gz AXRDDBDKUBIXFQ-SSDOTTSWSA-N 0 0 210.299 -0.457 20 70 BBIDRN CCCNS(=O)(=O)N(CCO)CCOC ZINC000160736951 361324751 /nfs/dbraw/zinc/32/47/51/361324751.db2.gz FYMPQOSUJJLXMQ-UHFFFAOYSA-N 0 0 240.325 -0.829 20 70 BBIDRN CCCNS(=O)(=O)N(CC)CCCO ZINC000160737369 133509907 /nfs/dbraw/zinc/50/99/07/133509907.db2.gz OXNJZOJWDYSLCX-UHFFFAOYSA-N 0 0 224.326 -0.065 20 70 BBIDRN CCCNS(=O)(=O)N[C@@H](C)[C@@H](C)CO ZINC000160739627 169271948 /nfs/dbraw/zinc/27/19/48/169271948.db2.gz IFBDOMSJRCUFJV-YUMQZZPRSA-N 0 0 224.326 -0.163 20 70 BBIDRN CCCNS(=O)(=O)N[C@H](C)[C@@H](C)CO ZINC000160739749 169272180 /nfs/dbraw/zinc/27/21/80/169272180.db2.gz IFBDOMSJRCUFJV-JGVFFNPUSA-N 0 0 224.326 -0.163 20 70 BBIDRN CCCNS(=O)(=O)N[C@@H](C)[C@H](C)CO ZINC000160739881 169271193 /nfs/dbraw/zinc/27/11/93/169271193.db2.gz IFBDOMSJRCUFJV-SFYZADRCSA-N 0 0 224.326 -0.163 20 70 BBIDRN CCCNS(=O)(=O)N[C@H](C)[C@H](C)CO ZINC000160740033 169272982 /nfs/dbraw/zinc/27/29/82/169272982.db2.gz IFBDOMSJRCUFJV-HTQZYQBOSA-N 0 0 224.326 -0.163 20 70 BBIDRN CC[C@H](O)CNS(=O)(=O)NC(C)C ZINC000160741462 388087030 /nfs/dbraw/zinc/08/70/30/388087030.db2.gz ZCUWYQRYURYIAQ-ZETCQYMHSA-N 0 0 210.299 -0.410 20 70 BBIDRN CC[C@@H](O)CNS(=O)(=O)NC(C)C ZINC000160741572 388086906 /nfs/dbraw/zinc/08/69/06/388086906.db2.gz ZCUWYQRYURYIAQ-SSDOTTSWSA-N 0 0 210.299 -0.410 20 70 BBIDRN CC[C@H](O)CNS(=O)(=O)NC1CC1 ZINC000160741704 388086931 /nfs/dbraw/zinc/08/69/31/388086931.db2.gz PCTOXOVTMDLBSO-ZETCQYMHSA-N 0 0 208.283 -0.656 20 70 BBIDRN CC[C@@H](O)CNS(=O)(=O)NC1CC1 ZINC000160741848 388087105 /nfs/dbraw/zinc/08/71/05/388087105.db2.gz PCTOXOVTMDLBSO-SSDOTTSWSA-N 0 0 208.283 -0.656 20 70 BBIDRN CCCNS(=O)(=O)NC[C@H](O)CC ZINC000160741976 169271735 /nfs/dbraw/zinc/27/17/35/169271735.db2.gz XSWKMHKHZBJMCW-SSDOTTSWSA-N 0 0 210.299 -0.409 20 70 BBIDRN CCCNS(=O)(=O)NC[C@@H](O)CC ZINC000160742114 169271463 /nfs/dbraw/zinc/27/14/63/169271463.db2.gz XSWKMHKHZBJMCW-ZETCQYMHSA-N 0 0 210.299 -0.409 20 70 BBIDRN CCCNS(=O)(=O)NC[C@H](O)C(C)C ZINC000160743017 387493993 /nfs/dbraw/zinc/49/39/93/387493993.db2.gz GPNIHIFTPWKXLB-QMMMGPOBSA-N 0 0 224.326 -0.163 20 70 BBIDRN CCCNS(=O)(=O)NC[C@@H](O)C(C)C ZINC000160743131 201732034 /nfs/dbraw/zinc/73/20/34/201732034.db2.gz GPNIHIFTPWKXLB-MRVPVSSYSA-N 0 0 224.326 -0.163 20 70 BBIDRN C[C@@H](CO)SCCN1C(=O)CNC1=O ZINC000160743419 175759611 /nfs/dbraw/zinc/75/96/11/175759611.db2.gz KHTIOWRADPGNQG-LURJTMIESA-N 0 0 218.278 -0.348 20 70 BBIDRN C[C@H](CO)SCCN1C(=O)CNC1=O ZINC000160743548 388086652 /nfs/dbraw/zinc/08/66/52/388086652.db2.gz KHTIOWRADPGNQG-ZCFIWIBFSA-N 0 0 218.278 -0.348 20 70 BBIDRN CCc1noc(Cn2ncn(C)c2=O)n1 ZINC000160743982 361326736 /nfs/dbraw/zinc/32/67/36/361326736.db2.gz NDLJTVJPHRUJJZ-UHFFFAOYSA-N 0 0 209.209 -0.425 20 70 BBIDRN CCCNS(=O)(=O)N[C@@H](CC)CCO ZINC000160744100 169271697 /nfs/dbraw/zinc/27/16/97/169271697.db2.gz ARCIDGQWVZGJKV-QMMMGPOBSA-N 0 0 224.326 -0.019 20 70 BBIDRN CCCNS(=O)(=O)N[C@H](CC)CCO ZINC000160744216 169272144 /nfs/dbraw/zinc/27/21/44/169272144.db2.gz ARCIDGQWVZGJKV-MRVPVSSYSA-N 0 0 224.326 -0.019 20 70 BBIDRN CCCNS(=O)(=O)NC[C@@H](O)CCC ZINC000160744881 169271937 /nfs/dbraw/zinc/27/19/37/169271937.db2.gz IDLTWGHXVHKQBQ-QMMMGPOBSA-N 0 0 224.326 -0.019 20 70 BBIDRN CCCNS(=O)(=O)NC[C@H](O)CCC ZINC000160745018 169271253 /nfs/dbraw/zinc/27/12/53/169271253.db2.gz IDLTWGHXVHKQBQ-MRVPVSSYSA-N 0 0 224.326 -0.019 20 70 BBIDRN Cn1cnn(Cc2nc(C3CC3)no2)c1=O ZINC000160745122 387513625 /nfs/dbraw/zinc/51/36/25/387513625.db2.gz OKHMUAVVEUKHKW-UHFFFAOYSA-N 0 0 221.220 -0.110 20 70 BBIDRN CCCNS(=O)(=O)NCC[C@H](O)CC ZINC000160745934 169271259 /nfs/dbraw/zinc/27/12/59/169271259.db2.gz JMZSAQZMBFARLZ-MRVPVSSYSA-N 0 0 224.326 -0.019 20 70 BBIDRN Cn1cnn(Cc2noc(C3CC3)n2)c1=O ZINC000160746007 323105115 /nfs/dbraw/zinc/10/51/15/323105115.db2.gz OYJYQHGLMPPOMA-UHFFFAOYSA-N 0 0 221.220 -0.110 20 70 BBIDRN CCCNS(=O)(=O)NCC[C@@H](O)CC ZINC000160746062 169271213 /nfs/dbraw/zinc/27/12/13/169271213.db2.gz JMZSAQZMBFARLZ-QMMMGPOBSA-N 0 0 224.326 -0.019 20 70 BBIDRN CCc1nc(Cn2ncn(C)c2=O)no1 ZINC000160746435 323104986 /nfs/dbraw/zinc/10/49/86/323104986.db2.gz SCYSEGRCLFIJLG-UHFFFAOYSA-N 0 0 209.209 -0.425 20 70 BBIDRN CCCNS(=O)(=O)N(C)CC[C@@H](C)O ZINC000160746717 201731416 /nfs/dbraw/zinc/73/14/16/201731416.db2.gz HUOQDWUYOIWUEJ-MRVPVSSYSA-N 0 0 224.326 -0.067 20 70 BBIDRN CCCNS(=O)(=O)N(C)CC[C@H](C)O ZINC000160746867 387513732 /nfs/dbraw/zinc/51/37/32/387513732.db2.gz HUOQDWUYOIWUEJ-QMMMGPOBSA-N 0 0 224.326 -0.067 20 70 BBIDRN C[C@@H](CO)S[C@@H](C)C(=O)NC(N)=O ZINC000160749509 388086885 /nfs/dbraw/zinc/08/68/85/388086885.db2.gz KNEAOODOQSINIW-WHFBIAKZSA-N 0 0 206.267 -0.316 20 70 BBIDRN C[C@H](CO)S[C@@H](C)C(=O)NC(N)=O ZINC000160749603 177028360 /nfs/dbraw/zinc/02/83/60/177028360.db2.gz KNEAOODOQSINIW-UHNVWZDZSA-N 0 0 206.267 -0.316 20 70 BBIDRN C[C@@H](S[C@@H](C)CO)C(=O)NC(N)=O ZINC000160749692 388086766 /nfs/dbraw/zinc/08/67/66/388086766.db2.gz KNEAOODOQSINIW-CRCLSJGQSA-N 0 0 206.267 -0.316 20 70 BBIDRN C[C@H](CO)S[C@H](C)C(=O)NC(N)=O ZINC000160749795 388087157 /nfs/dbraw/zinc/08/71/57/388087157.db2.gz KNEAOODOQSINIW-RFZPGFLSSA-N 0 0 206.267 -0.316 20 70 BBIDRN CCNC(=O)CN(CC)Cc1nncn1C ZINC000160750417 323104995 /nfs/dbraw/zinc/10/49/95/323104995.db2.gz SKWYTBNAAITQOX-UHFFFAOYSA-N 0 0 225.296 -0.227 20 70 BBIDRN CCCNS(=O)(=O)NCC1(O)CCC1 ZINC000160752548 387517147 /nfs/dbraw/zinc/51/71/47/387517147.db2.gz BJJMRGKAFSODMQ-UHFFFAOYSA-N 0 0 222.310 -0.265 20 70 BBIDRN CCCNS(=O)(=O)N[C@@H]1C[C@H](O)C1(C)C ZINC000160757618 169272540 /nfs/dbraw/zinc/27/25/40/169272540.db2.gz JMJOUSPSKBOKGW-SFYZADRCSA-N 0 0 236.337 -0.020 20 70 BBIDRN CCCNS(=O)(=O)N[C@H]1C[C@H](O)C1(C)C ZINC000160757740 169272530 /nfs/dbraw/zinc/27/25/30/169272530.db2.gz JMJOUSPSKBOKGW-YUMQZZPRSA-N 0 0 236.337 -0.020 20 70 BBIDRN CCCNS(=O)(=O)N[C@@H]1C[C@@H](O)C1(C)C ZINC000160757861 169272426 /nfs/dbraw/zinc/27/24/26/169272426.db2.gz JMJOUSPSKBOKGW-HTQZYQBOSA-N 0 0 236.337 -0.020 20 70 BBIDRN CCCNS(=O)(=O)N[C@H]1C[C@@H](O)C1(C)C ZINC000160757969 169272941 /nfs/dbraw/zinc/27/29/41/169272941.db2.gz JMJOUSPSKBOKGW-JGVFFNPUSA-N 0 0 236.337 -0.020 20 70 BBIDRN CCCNS(=O)(=O)N1CC[C@H](O)[C@H](C)C1 ZINC000160758689 361327310 /nfs/dbraw/zinc/32/73/10/361327310.db2.gz TVTCQNQFLVIRBL-BDAKNGLRSA-N 0 0 236.337 -0.067 20 70 BBIDRN CCCNS(=O)(=O)N1CC[C@@H](O)[C@H](C)C1 ZINC000160758830 361326554 /nfs/dbraw/zinc/32/65/54/361326554.db2.gz TVTCQNQFLVIRBL-RKDXNWHRSA-N 0 0 236.337 -0.067 20 70 BBIDRN CNS(=O)(=O)NCC1(CCO)CC1 ZINC000160759485 173405679 /nfs/dbraw/zinc/40/56/79/173405679.db2.gz WMEIMUBDSKQGMD-UHFFFAOYSA-N 0 0 208.283 -0.797 20 70 BBIDRN CCCNS(=O)(=O)NCC1(CCO)CC1 ZINC000160759615 169271925 /nfs/dbraw/zinc/27/19/25/169271925.db2.gz VIYKOKDEOGYTAA-UHFFFAOYSA-N 0 0 236.337 -0.017 20 70 BBIDRN CCCNS(=O)(=O)N1CC[C@H](CCO)C1 ZINC000160760905 387520452 /nfs/dbraw/zinc/52/04/52/387520452.db2.gz OBHYOWYGGHZYPB-SECBINFHSA-N 0 0 236.337 -0.065 20 70 BBIDRN CCCNS(=O)(=O)N1CC[C@@H](CCO)C1 ZINC000160761032 387520255 /nfs/dbraw/zinc/52/02/55/387520255.db2.gz OBHYOWYGGHZYPB-VIFPVBQESA-N 0 0 236.337 -0.065 20 70 BBIDRN COCCCN(C)C(=O)CN(C)C(=O)COC ZINC000160761536 323106211 /nfs/dbraw/zinc/10/62/11/323106211.db2.gz KYRUWDIXZPZLDD-UHFFFAOYSA-N 0 0 246.307 -0.414 20 70 BBIDRN C[C@@H](C(=O)NC(C)(C)CCO)S(C)(=O)=O ZINC000160768819 487591060 /nfs/dbraw/zinc/59/10/60/487591060.db2.gz KLXKSVBLSXYMQT-ZETCQYMHSA-N 0 0 237.321 -0.303 20 70 BBIDRN C[C@H](C(=O)NC(C)(C)CCO)S(C)(=O)=O ZINC000160768951 388087617 /nfs/dbraw/zinc/08/76/17/388087617.db2.gz KLXKSVBLSXYMQT-SSDOTTSWSA-N 0 0 237.321 -0.303 20 70 BBIDRN CC[C@H](O)CCNC(=O)NCC(=O)N(C)C ZINC000160770032 385715960 /nfs/dbraw/zinc/71/59/60/385715960.db2.gz RDZUQJMCGCWXOX-QMMMGPOBSA-N 0 0 231.296 -0.465 20 70 BBIDRN CC[C@@H](O)CCNC(=O)NCC(=O)N(C)C ZINC000160770136 535811516 /nfs/dbraw/zinc/81/15/16/535811516.db2.gz RDZUQJMCGCWXOX-MRVPVSSYSA-N 0 0 231.296 -0.465 20 70 BBIDRN COC(=O)NCC(=O)N[C@H](CCO)C(C)C ZINC000160771281 323134689 /nfs/dbraw/zinc/13/46/89/323134689.db2.gz ZQXITRZZRGNLMC-MRVPVSSYSA-N 0 0 232.280 -0.134 20 70 BBIDRN CNS(=O)(=O)NCc1c[nH]nc1C ZINC000160771371 323134719 /nfs/dbraw/zinc/13/47/19/323134719.db2.gz WPWMERDUAIIKGE-UHFFFAOYSA-N 0 0 204.255 -0.728 20 70 BBIDRN COC(=O)NCC(=O)N[C@@H](CCO)C(C)C ZINC000160771399 323134683 /nfs/dbraw/zinc/13/46/83/323134683.db2.gz ZQXITRZZRGNLMC-QMMMGPOBSA-N 0 0 232.280 -0.134 20 70 BBIDRN CCNS(=O)(=O)NCc1c[nH]nc1C ZINC000160771495 343204097 /nfs/dbraw/zinc/20/40/97/343204097.db2.gz AYUCXJBYZKRMQO-UHFFFAOYSA-N 0 0 218.282 -0.338 20 70 BBIDRN Cc1n[nH]cc1CNS(=O)(=O)NC1CC1 ZINC000160771644 323134728 /nfs/dbraw/zinc/13/47/28/323134728.db2.gz MGLNCZYBAPSZNY-UHFFFAOYSA-N 0 0 230.293 -0.195 20 70 BBIDRN CCCNS(=O)(=O)NCc1cc[nH]n1 ZINC000160771910 350861693 /nfs/dbraw/zinc/86/16/93/350861693.db2.gz BIXSMIUEWFTMKC-UHFFFAOYSA-N 0 0 218.282 -0.256 20 70 BBIDRN CC(C)NS(=O)(=O)NCc1cc[nH]n1 ZINC000160772042 362228550 /nfs/dbraw/zinc/22/85/50/362228550.db2.gz AXIQGUKQDYZBNI-UHFFFAOYSA-N 0 0 218.282 -0.258 20 70 BBIDRN O=C(CN1CC(=O)NC1=O)NC1CC=CC1 ZINC000160772412 538910255 /nfs/dbraw/zinc/91/02/55/538910255.db2.gz AMZZVXVLEDHYCK-UHFFFAOYSA-N 0 0 223.232 -0.627 20 70 BBIDRN CCNS(=O)(=O)NCc1cc[nH]n1 ZINC000160772440 362227901 /nfs/dbraw/zinc/22/79/01/362227901.db2.gz CCVJHUWYFUJLSJ-UHFFFAOYSA-N 0 0 204.255 -0.646 20 70 BBIDRN O=S(=O)(NCc1cc[nH]n1)NC1CC1 ZINC000160772575 362228328 /nfs/dbraw/zinc/22/83/28/362228328.db2.gz MVPWQTFHFZKSHK-UHFFFAOYSA-N 0 0 216.266 -0.504 20 70 BBIDRN CC(=O)N(C)CC(=O)NC(C)(C)CCO ZINC000160773261 188335013 /nfs/dbraw/zinc/33/50/13/188335013.db2.gz JXKVBJXXIAWDAU-UHFFFAOYSA-N 0 0 216.281 -0.258 20 70 BBIDRN CC(C)(CCO)NC(=O)[C@@H]1COCCO1 ZINC000160773386 387572995 /nfs/dbraw/zinc/57/29/95/387572995.db2.gz AYMAKEHZEIWNQB-QMMMGPOBSA-N 0 0 217.265 -0.321 20 70 BBIDRN CC(C)(CCO)NC(=O)[C@H]1COCCO1 ZINC000160773502 387573438 /nfs/dbraw/zinc/57/34/38/387573438.db2.gz AYMAKEHZEIWNQB-MRVPVSSYSA-N 0 0 217.265 -0.321 20 70 BBIDRN CC(=O)N[C@@H](C)C(=O)NC(C)(C)CCO ZINC000160774954 388089252 /nfs/dbraw/zinc/08/92/52/388089252.db2.gz GHIZGNMLAHWPSH-ZETCQYMHSA-N 0 0 216.281 -0.212 20 70 BBIDRN CC(=O)N[C@H](C)C(=O)NC(C)(C)CCO ZINC000160775080 388089334 /nfs/dbraw/zinc/08/93/34/388089334.db2.gz GHIZGNMLAHWPSH-SSDOTTSWSA-N 0 0 216.281 -0.212 20 70 BBIDRN CNS(=O)(=O)NCCCc1c[nH]nc1C ZINC000160776144 386029879 /nfs/dbraw/zinc/02/98/79/386029879.db2.gz HNKFAVSVJYSRSE-UHFFFAOYSA-N 0 0 232.309 -0.295 20 70 BBIDRN COCCOCC(=O)NC(C)(C)CCO ZINC000160779291 361327942 /nfs/dbraw/zinc/32/79/42/361327942.db2.gz ZPILTYLCXFCJLZ-UHFFFAOYSA-N 0 0 219.281 -0.073 20 70 BBIDRN CCCNS(=O)(=O)N1CCNC(=O)[C@@H]1C ZINC000160780354 388089526 /nfs/dbraw/zinc/08/95/26/388089526.db2.gz KIPJHYXBNYPVCN-ZETCQYMHSA-N 0 0 235.309 -0.949 20 70 BBIDRN CCCNS(=O)(=O)N1CCNC(=O)[C@H]1C ZINC000160780486 387577178 /nfs/dbraw/zinc/57/71/78/387577178.db2.gz KIPJHYXBNYPVCN-SSDOTTSWSA-N 0 0 235.309 -0.949 20 70 BBIDRN CNC(=O)NC(=O)CS[C@@H](C)CO ZINC000160782785 173287535 /nfs/dbraw/zinc/28/75/35/173287535.db2.gz JCNVSDKMFCKGBS-YFKPBYRVSA-N 0 0 206.267 -0.444 20 70 BBIDRN CNC(=O)NC(=O)CS[C@H](C)CO ZINC000160782919 173287504 /nfs/dbraw/zinc/28/75/04/173287504.db2.gz JCNVSDKMFCKGBS-RXMQYKEDSA-N 0 0 206.267 -0.444 20 70 BBIDRN CCCNS(=O)(=O)N(C)Cc1nc[nH]n1 ZINC000160783760 169270454 /nfs/dbraw/zinc/27/04/54/169270454.db2.gz KAQZMNMPTJXTGJ-UHFFFAOYSA-N 0 0 233.297 -0.519 20 70 BBIDRN CC(C)NS(=O)(=O)N(C)Cc1nc[nH]n1 ZINC000160783898 167123345 /nfs/dbraw/zinc/12/33/45/167123345.db2.gz OGPZPRYFQFRJSO-UHFFFAOYSA-N 0 0 233.297 -0.521 20 70 BBIDRN CCNS(=O)(=O)N(C)Cc1nc[nH]n1 ZINC000160784153 361328715 /nfs/dbraw/zinc/32/87/15/361328715.db2.gz CDGIAYKXJWKIMR-UHFFFAOYSA-N 0 0 219.270 -0.909 20 70 BBIDRN CN(Cc1nc[nH]n1)S(=O)(=O)NC1CC1 ZINC000160784312 343204057 /nfs/dbraw/zinc/20/40/57/343204057.db2.gz XOWWHHNLWAFHKW-UHFFFAOYSA-N 0 0 231.281 -0.767 20 70 BBIDRN CNS(=O)(=O)N(C)Cc1ncc[nH]1 ZINC000160784901 362234444 /nfs/dbraw/zinc/23/44/44/362234444.db2.gz DRKXAICQISGNEA-UHFFFAOYSA-N 0 0 204.255 -0.694 20 70 BBIDRN CCNS(=O)(=O)N(C)Cc1ncc[nH]1 ZINC000160785053 362233767 /nfs/dbraw/zinc/23/37/67/362233767.db2.gz KDNRVJBFCVLTHF-UHFFFAOYSA-N 0 0 218.282 -0.304 20 70 BBIDRN CN(Cc1ncc[nH]1)S(=O)(=O)NC1CC1 ZINC000160785260 362234006 /nfs/dbraw/zinc/23/40/06/362234006.db2.gz RYHWRHBMBYOGSE-UHFFFAOYSA-N 0 0 230.293 -0.162 20 70 BBIDRN CCCNS(=O)(=O)NCCc1nnc[nH]1 ZINC000160785858 169271417 /nfs/dbraw/zinc/27/14/17/169271417.db2.gz VUCUOICPNQVEDI-UHFFFAOYSA-N 0 0 233.297 -0.819 20 70 BBIDRN CC(C)CCNC(=O)Cn1ncn(C)c1=O ZINC000160786271 166846858 /nfs/dbraw/zinc/84/68/58/166846858.db2.gz HIQINLGYIFBPHU-UHFFFAOYSA-N 0 0 226.280 -0.256 20 70 BBIDRN CCCNS(=O)(=O)NCc1ncc[nH]1 ZINC000160786287 362241038 /nfs/dbraw/zinc/24/10/38/362241038.db2.gz FVVMCTQBWGLTLX-UHFFFAOYSA-N 0 0 218.282 -0.256 20 70 BBIDRN CC(C)NS(=O)(=O)NCc1ncc[nH]1 ZINC000160786434 362240716 /nfs/dbraw/zinc/24/07/16/362240716.db2.gz MDLYDJDXOSVKOB-UHFFFAOYSA-N 0 0 218.282 -0.258 20 70 BBIDRN O=S(=O)(NCc1ncc[nH]1)NC1CC1 ZINC000160786802 362241131 /nfs/dbraw/zinc/24/11/31/362241131.db2.gz ASKBXSKCUBRJBY-UHFFFAOYSA-N 0 0 216.266 -0.504 20 70 BBIDRN CC(C)NS(=O)(=O)NCc1c[nH]cn1 ZINC000160788487 358561246 /nfs/dbraw/zinc/56/12/46/358561246.db2.gz QPOGARRVOJXJRP-UHFFFAOYSA-N 0 0 218.282 -0.258 20 70 BBIDRN CN1CC(=O)N(CC(=O)NC2CC=CC2)C1=O ZINC000160790305 566324745 /nfs/dbraw/zinc/32/47/45/566324745.db2.gz YCKILOGUGMBJQX-UHFFFAOYSA-N 0 0 237.259 -0.285 20 70 BBIDRN Cn1ccc(CNC(=O)N2CCOCC2)n1 ZINC000160796309 387781108 /nfs/dbraw/zinc/78/11/08/387781108.db2.gz IYRINSQPFABVMB-UHFFFAOYSA-N 0 0 224.264 -0.038 20 70 BBIDRN CN(C)C(=O)N1CCN2C(=O)CC[C@@H]2C1 ZINC000160797266 361326834 /nfs/dbraw/zinc/32/68/34/361326834.db2.gz GADCPEQRDUGLEQ-MRVPVSSYSA-N 0 0 211.265 -0.025 20 70 BBIDRN CN(C)C(=O)N1CCN2C(=O)CC[C@H]2C1 ZINC000160797374 358642643 /nfs/dbraw/zinc/64/26/43/358642643.db2.gz GADCPEQRDUGLEQ-QMMMGPOBSA-N 0 0 211.265 -0.025 20 70 BBIDRN CCOC(=O)[C@@H](C)CNC(=O)[C@@H]1CSCN1 ZINC000160798977 170245161 /nfs/dbraw/zinc/24/51/61/170245161.db2.gz SGFGJTZXJQHTCN-YUMQZZPRSA-N 0 0 246.332 -0.036 20 70 BBIDRN CCOC(=O)[C@H](C)CNC(=O)[C@@H]1CSCN1 ZINC000160799112 170264787 /nfs/dbraw/zinc/26/47/87/170264787.db2.gz SGFGJTZXJQHTCN-SFYZADRCSA-N 0 0 246.332 -0.036 20 70 BBIDRN CCOC(=O)[C@@H](C)CNC(=O)[C@H]1CSCN1 ZINC000160799244 170245621 /nfs/dbraw/zinc/24/56/21/170245621.db2.gz SGFGJTZXJQHTCN-JGVFFNPUSA-N 0 0 246.332 -0.036 20 70 BBIDRN CCOC(=O)[C@H](C)CNC(=O)[C@H]1CSCN1 ZINC000160799346 170264810 /nfs/dbraw/zinc/26/48/10/170264810.db2.gz SGFGJTZXJQHTCN-HTQZYQBOSA-N 0 0 246.332 -0.036 20 70 BBIDRN CC(=O)N[C@@H]1CCN(C(=O)N2CCOCC2)C1 ZINC000160801180 343204262 /nfs/dbraw/zinc/20/42/62/343204262.db2.gz QPVCWBMXISDEGM-SNVBAGLBSA-N 0 0 241.291 -0.351 20 70 BBIDRN CC(=O)N[C@H]1CCN(C(=O)N2CCOCC2)C1 ZINC000160801304 343203944 /nfs/dbraw/zinc/20/39/44/343203944.db2.gz QPVCWBMXISDEGM-JTQLQIEISA-N 0 0 241.291 -0.351 20 70 BBIDRN CC(=O)N[C@@H]1CCN(C(=O)N[C@@H]2CCOC2)C1 ZINC000160802612 487978411 /nfs/dbraw/zinc/97/84/11/487978411.db2.gz UKVJDBUYJSSWRM-NXEZZACHSA-N 0 0 241.291 -0.305 20 70 BBIDRN CC(=O)N[C@H]1CCN(C(=O)N[C@@H]2CCOC2)C1 ZINC000160802705 487978102 /nfs/dbraw/zinc/97/81/02/487978102.db2.gz UKVJDBUYJSSWRM-VHSXEESVSA-N 0 0 241.291 -0.305 20 70 BBIDRN [NH3+][C@@H]1CCN(S(=O)(=O)[N-]CC(F)(F)F)C1 ZINC000160836886 323136386 /nfs/dbraw/zinc/13/63/86/323136386.db2.gz LGRLIDOMHXKWAT-RXMQYKEDSA-N 0 0 247.242 -0.584 20 70 BBIDRN [NH3+][C@H]1CCN(S(=O)(=O)[N-]CC(F)(F)F)C1 ZINC000160837034 323136487 /nfs/dbraw/zinc/13/64/87/323136487.db2.gz LGRLIDOMHXKWAT-YFKPBYRVSA-N 0 0 247.242 -0.584 20 70 BBIDRN Cn1ncc(NC[C@H](O)CO)c(Cl)c1=O ZINC000160838838 361329781 /nfs/dbraw/zinc/32/97/81/361329781.db2.gz CNVYNVHOVHBZOM-YFKPBYRVSA-N 0 0 233.655 -0.801 20 70 BBIDRN Cn1ncc(NC[C@@H](O)CO)c(Cl)c1=O ZINC000160838961 388093768 /nfs/dbraw/zinc/09/37/68/388093768.db2.gz CNVYNVHOVHBZOM-RXMQYKEDSA-N 0 0 233.655 -0.801 20 70 BBIDRN C[NH2+]CCNS(=O)(=O)[N-]CC(F)(F)F ZINC000160842459 343203836 /nfs/dbraw/zinc/20/38/36/343203836.db2.gz GTRHRLFFYGZKJB-UHFFFAOYSA-N 0 0 235.231 -0.808 20 70 BBIDRN CC[NH2+]CCNS(=O)(=O)[N-]CC(F)(F)F ZINC000160843321 323136592 /nfs/dbraw/zinc/13/65/92/323136592.db2.gz VCYSAYKJMUBKJA-UHFFFAOYSA-N 0 0 249.258 -0.418 20 70 BBIDRN C[C@H]([NH3+])CCNS(=O)(=O)[N-]CC(F)(F)F ZINC000160849140 323136800 /nfs/dbraw/zinc/13/68/00/323136800.db2.gz NYGOFDKOMXEILC-YFKPBYRVSA-N 0 0 249.258 -0.290 20 70 BBIDRN C[C@@H]([NH3+])CCNS(=O)(=O)[N-]CC(F)(F)F ZINC000160849286 323136866 /nfs/dbraw/zinc/13/68/66/323136866.db2.gz NYGOFDKOMXEILC-RXMQYKEDSA-N 0 0 249.258 -0.290 20 70 BBIDRN CCOC(=O)C[C@@H](C)NC(=O)[C@@H](C)NC(C)=O ZINC000160856014 535710040 /nfs/dbraw/zinc/71/00/40/535710040.db2.gz VYTNIRVDPILECK-HTQZYQBOSA-N 0 0 244.291 -0.031 20 70 BBIDRN CCOC(=O)C[C@H](C)NC(=O)[C@@H](C)NC(C)=O ZINC000160856134 133510921 /nfs/dbraw/zinc/51/09/21/133510921.db2.gz VYTNIRVDPILECK-JGVFFNPUSA-N 0 0 244.291 -0.031 20 70 BBIDRN CCOC(=O)C[C@@H](C)NC(=O)[C@H](C)NC(C)=O ZINC000160856265 349331062 /nfs/dbraw/zinc/33/10/62/349331062.db2.gz VYTNIRVDPILECK-SFYZADRCSA-N 0 0 244.291 -0.031 20 70 BBIDRN CCOC(=O)C[C@H](C)NC(=O)[C@H](C)NC(C)=O ZINC000160856390 349330741 /nfs/dbraw/zinc/33/07/41/349330741.db2.gz VYTNIRVDPILECK-YUMQZZPRSA-N 0 0 244.291 -0.031 20 70 BBIDRN CCCNS(=O)(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000160863852 169271342 /nfs/dbraw/zinc/27/13/42/169271342.db2.gz ZUWOOZQXKJLMHV-DTORHVGOSA-N 0 0 235.353 -0.087 20 70 BBIDRN CCCNS(=O)(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000160864029 169271334 /nfs/dbraw/zinc/27/13/34/169271334.db2.gz ZUWOOZQXKJLMHV-IUCAKERBSA-N 0 0 235.353 -0.087 20 70 BBIDRN C[C@@H](C(=O)NC(N)=O)[N@H+](C)C[C@H](O)C1CC1 ZINC000160864073 358975290 /nfs/dbraw/zinc/97/52/90/358975290.db2.gz NTFQLKOCEZPKDE-XPUUQOCRSA-N 0 0 229.280 -0.728 20 70 BBIDRN CC(=O)N1CC(NC(=O)[C@H]2OCC[C@H]2C)C1 ZINC000160881534 345513991 /nfs/dbraw/zinc/51/39/91/345513991.db2.gz LJCVSDDPFZWCPF-XCBNKYQSSA-N 0 0 226.276 -0.242 20 70 BBIDRN CC(C)C[C@@H](CO)NC(=O)CC(=O)N(C)C ZINC000160892576 187359728 /nfs/dbraw/zinc/35/97/28/187359728.db2.gz AAANJLZSLZXUMO-VIFPVBQESA-N 0 0 230.308 -0.012 20 70 BBIDRN CC(C)C[C@H](CO)NC(=O)CC(=O)N(C)C ZINC000160892724 188159270 /nfs/dbraw/zinc/15/92/70/188159270.db2.gz AAANJLZSLZXUMO-SECBINFHSA-N 0 0 230.308 -0.012 20 70 BBIDRN COCCS(=O)(=O)N1CCC[C@](C)(O)C1 ZINC000160901420 388024086 /nfs/dbraw/zinc/02/40/86/388024086.db2.gz WAVDHTKJVVQTEN-VIFPVBQESA-N 0 0 237.321 -0.191 20 70 BBIDRN COCCS(=O)(=O)N1CCC[C@@](C)(O)C1 ZINC000160901573 388024824 /nfs/dbraw/zinc/02/48/24/388024824.db2.gz WAVDHTKJVVQTEN-SECBINFHSA-N 0 0 237.321 -0.191 20 70 BBIDRN CCCN(C)S(=O)(=O)NC[C@H](O)COC ZINC000160905743 169084944 /nfs/dbraw/zinc/08/49/44/169084944.db2.gz WKWWEKHMWRSDNU-QMMMGPOBSA-N 0 0 240.325 -0.830 20 70 BBIDRN CCCN(C)S(=O)(=O)NC[C@@H](O)COC ZINC000160905876 169084542 /nfs/dbraw/zinc/08/45/42/169084542.db2.gz WKWWEKHMWRSDNU-MRVPVSSYSA-N 0 0 240.325 -0.830 20 70 BBIDRN CC(C)CCOCCNS(N)(=O)=O ZINC000160907663 385922748 /nfs/dbraw/zinc/92/27/48/385922748.db2.gz OFMUSSRNNKLUAX-UHFFFAOYSA-N 0 0 210.299 -0.158 20 70 BBIDRN CO[C@H](C)C(=O)N1C[C@@H](CO)OC[C@H]1C ZINC000160911687 361332754 /nfs/dbraw/zinc/33/27/54/361332754.db2.gz SNKLPIDFRWQMHN-HLTSFMKQSA-N 0 0 217.265 -0.371 20 70 BBIDRN CO[C@H](C)C(=O)N1C[C@@H](CO)OC[C@@H]1C ZINC000160911810 361332042 /nfs/dbraw/zinc/33/20/42/361332042.db2.gz SNKLPIDFRWQMHN-YIZRAAEISA-N 0 0 217.265 -0.371 20 70 BBIDRN CO[C@H](C)C(=O)N1C[C@H](CO)OC[C@H]1C ZINC000160911927 343308851 /nfs/dbraw/zinc/30/88/51/343308851.db2.gz SNKLPIDFRWQMHN-IWSPIJDZSA-N 0 0 217.265 -0.371 20 70 BBIDRN CO[C@H](C)C(=O)N1C[C@H](CO)OC[C@@H]1C ZINC000160912053 361332732 /nfs/dbraw/zinc/33/27/32/361332732.db2.gz SNKLPIDFRWQMHN-DJLDLDEBSA-N 0 0 217.265 -0.371 20 70 BBIDRN CC(C)([NH3+])CNS(=O)(=O)[N-]CC(F)(F)F ZINC000160939797 323139519 /nfs/dbraw/zinc/13/95/19/323139519.db2.gz JRKNNHOXSJXIBI-UHFFFAOYSA-N 0 0 249.258 -0.290 20 70 BBIDRN CCO[C@@H](C)C(=O)NCC[C@H](O)COC ZINC000160953018 323139914 /nfs/dbraw/zinc/13/99/14/323139914.db2.gz BMIRXPABPUQHTL-IUCAKERBSA-N 0 0 219.281 -0.075 20 70 BBIDRN CCO[C@H](C)C(=O)NCC[C@H](O)COC ZINC000160953154 323139931 /nfs/dbraw/zinc/13/99/31/323139931.db2.gz BMIRXPABPUQHTL-BDAKNGLRSA-N 0 0 219.281 -0.075 20 70 BBIDRN CCO[C@@H](C)C(=O)NCC[C@@H](O)COC ZINC000160953300 323139927 /nfs/dbraw/zinc/13/99/27/323139927.db2.gz BMIRXPABPUQHTL-DTWKUNHWSA-N 0 0 219.281 -0.075 20 70 BBIDRN CCO[C@H](C)C(=O)NCC[C@@H](O)COC ZINC000160953422 323139970 /nfs/dbraw/zinc/13/99/70/323139970.db2.gz BMIRXPABPUQHTL-RKDXNWHRSA-N 0 0 219.281 -0.075 20 70 BBIDRN CCCNS(=O)(=O)NCC(F)(F)CN ZINC000160969774 361334147 /nfs/dbraw/zinc/33/41/47/361334147.db2.gz JCESEMLANIDHSN-UHFFFAOYSA-N 0 0 231.268 -0.586 20 70 BBIDRN CC(C)NS(=O)(=O)NCC(F)(F)CN ZINC000160970331 167126054 /nfs/dbraw/zinc/12/60/54/167126054.db2.gz BHKXZCFADLAWCA-UHFFFAOYSA-N 0 0 231.268 -0.587 20 70 BBIDRN Cc1nccc(N2CCN(C(=O)CO)CC2)n1 ZINC000160972466 132444568 /nfs/dbraw/zinc/44/45/68/132444568.db2.gz IFAKMGGWPTXYKL-UHFFFAOYSA-N 0 0 236.275 -0.574 20 70 BBIDRN CNS(=O)(=O)N[C@H](C(=O)OC)C(C)C ZINC000160974974 536302831 /nfs/dbraw/zinc/30/28/31/536302831.db2.gz KYVUQYQUJYGTAR-LURJTMIESA-N 0 0 224.282 -0.762 20 70 BBIDRN CNS(=O)(=O)N[C@@H](C(=O)OC)C(C)C ZINC000160975095 361334017 /nfs/dbraw/zinc/33/40/17/361334017.db2.gz KYVUQYQUJYGTAR-ZCFIWIBFSA-N 0 0 224.282 -0.762 20 70 BBIDRN CCCNS(=O)(=O)NCC(=O)OCC ZINC000160975908 169271960 /nfs/dbraw/zinc/27/19/60/169271960.db2.gz LVXUDQDRJWVVKB-UHFFFAOYSA-N 0 0 224.282 -0.617 20 70 BBIDRN C[C@H](CO)C[N@@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000160975970 538913748 /nfs/dbraw/zinc/91/37/48/538913748.db2.gz VDVREERHNXRFCP-VHSXEESVSA-N 0 0 212.293 -0.079 20 70 BBIDRN CCOC(=O)CN(CC)S(=O)(=O)NC ZINC000160976081 323141151 /nfs/dbraw/zinc/14/11/51/323141151.db2.gz GJXJIJKYJJNBLG-UHFFFAOYSA-N 0 0 224.282 -0.664 20 70 BBIDRN C[C@@H](CO)C[N@@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000160976085 538913868 /nfs/dbraw/zinc/91/38/68/538913868.db2.gz VDVREERHNXRFCP-NXEZZACHSA-N 0 0 212.293 -0.079 20 70 BBIDRN CCN(CCC(=O)OC)S(=O)(=O)NC ZINC000160976254 361334224 /nfs/dbraw/zinc/33/42/24/361334224.db2.gz LOLHRGVCSCYOCZ-UHFFFAOYSA-N 0 0 224.282 -0.664 20 70 BBIDRN CCCNS(=O)(=O)NCCC(=O)OC ZINC000160976396 169271708 /nfs/dbraw/zinc/27/17/08/169271708.db2.gz DVXKBCXZXATSBI-UHFFFAOYSA-N 0 0 224.282 -0.617 20 70 BBIDRN COC(=O)[C@H](C)NS(=O)(=O)NC1CC1 ZINC000160976652 388107661 /nfs/dbraw/zinc/10/76/61/388107661.db2.gz GQFORNZTRDBRRR-YFKPBYRVSA-N 0 0 222.266 -0.866 20 70 BBIDRN COC(=O)[C@@H](C)NS(=O)(=O)NC1CC1 ZINC000160976791 387382288 /nfs/dbraw/zinc/38/22/88/387382288.db2.gz GQFORNZTRDBRRR-RXMQYKEDSA-N 0 0 222.266 -0.866 20 70 BBIDRN CCCNS(=O)(=O)N[C@@H](C)C(=O)OC ZINC000160977220 349348414 /nfs/dbraw/zinc/34/84/14/349348414.db2.gz DHULWZRFRLGCAO-LURJTMIESA-N 0 0 224.282 -0.618 20 70 BBIDRN CCCNS(=O)(=O)N[C@H](C)C(=O)OC ZINC000160977357 169272509 /nfs/dbraw/zinc/27/25/09/169272509.db2.gz DHULWZRFRLGCAO-ZCFIWIBFSA-N 0 0 224.282 -0.618 20 70 BBIDRN CNS(=O)(=O)N(C)C[C@H](C)C(=O)OC ZINC000160978227 388107535 /nfs/dbraw/zinc/10/75/35/388107535.db2.gz PKVCTTUMIQVCIV-LURJTMIESA-N 0 0 224.282 -0.809 20 70 BBIDRN O=C(CO)N1CCN(c2ncns2)CC1 ZINC000160978268 566326107 /nfs/dbraw/zinc/32/61/07/566326107.db2.gz MJVRBPMQFCMEPR-UHFFFAOYSA-N 0 0 228.277 -0.821 20 70 BBIDRN CNS(=O)(=O)N(C)C[C@@H](C)C(=O)OC ZINC000160978363 388108190 /nfs/dbraw/zinc/10/81/90/388108190.db2.gz PKVCTTUMIQVCIV-ZCFIWIBFSA-N 0 0 224.282 -0.809 20 70 BBIDRN CNS(=O)(=O)N(CC(=O)OC)C(C)C ZINC000160978518 388107769 /nfs/dbraw/zinc/10/77/69/388107769.db2.gz DUFAGEZLTNNRTM-UHFFFAOYSA-N 0 0 224.282 -0.666 20 70 BBIDRN CCCN(CC(=O)OC)S(=O)(=O)NC ZINC000160978657 361335441 /nfs/dbraw/zinc/33/54/41/361335441.db2.gz JHPPPNRWOOQDGQ-UHFFFAOYSA-N 0 0 224.282 -0.664 20 70 BBIDRN CNS(=O)(=O)N(C)CCCC(=O)OC ZINC000160978803 323141339 /nfs/dbraw/zinc/14/13/39/323141339.db2.gz VXLUQXXNRIMFPB-UHFFFAOYSA-N 0 0 224.282 -0.664 20 70 BBIDRN CCOC(=O)CCN(C)S(=O)(=O)NC ZINC000160978953 349348310 /nfs/dbraw/zinc/34/83/10/349348310.db2.gz JIXLHEOYVUVJBE-UHFFFAOYSA-N 0 0 224.282 -0.664 20 70 BBIDRN CCOC(=O)CCCNS(=O)(=O)NC ZINC000160979305 361335480 /nfs/dbraw/zinc/33/54/80/361335480.db2.gz ZRVMAJFKHPWPMP-UHFFFAOYSA-N 0 0 224.282 -0.617 20 70 BBIDRN COCCN(C)S(=O)(=O)NCC(C)(C)O ZINC000160990351 201754510 /nfs/dbraw/zinc/75/45/10/201754510.db2.gz GSSPVKBMDVFGTD-UHFFFAOYSA-N 0 0 240.325 -0.830 20 70 BBIDRN CC(=O)NCCNC(=O)[C@@H]1CCCCO1 ZINC000160990699 388107987 /nfs/dbraw/zinc/10/79/87/388107987.db2.gz ISDGDOCGMUKYRE-VIFPVBQESA-N 0 0 214.265 -0.192 20 70 BBIDRN CC(=O)NCCNC(=O)[C@H]1CCCCO1 ZINC000160990832 388108098 /nfs/dbraw/zinc/10/80/98/388108098.db2.gz ISDGDOCGMUKYRE-SECBINFHSA-N 0 0 214.265 -0.192 20 70 BBIDRN CN(CC(=O)NC1CC=CC1)S(C)(=O)=O ZINC000160991685 538913834 /nfs/dbraw/zinc/91/38/34/538913834.db2.gz ONIZXENMQZSKKE-UHFFFAOYSA-N 0 0 232.305 -0.287 20 70 BBIDRN CCCN(C)S(=O)(=O)NCC(C)(C)O ZINC000160997292 201753919 /nfs/dbraw/zinc/75/39/19/201753919.db2.gz FUZXZQXNJVIBFQ-UHFFFAOYSA-N 0 0 224.326 -0.067 20 70 BBIDRN COC[C@@H]1CN(C(=O)[C@@H]2CSCN2)CCO1 ZINC000160997985 385296744 /nfs/dbraw/zinc/29/67/44/385296744.db2.gz BWFAAEKOBZQOIB-IUCAKERBSA-N 0 0 246.332 -0.477 20 70 BBIDRN COC[C@H]1CN(C(=O)[C@@H]2CSCN2)CCO1 ZINC000160998118 385297342 /nfs/dbraw/zinc/29/73/42/385297342.db2.gz BWFAAEKOBZQOIB-BDAKNGLRSA-N 0 0 246.332 -0.477 20 70 BBIDRN COC[C@@H]1CN(C(=O)[C@H]2CSCN2)CCO1 ZINC000160998244 385298034 /nfs/dbraw/zinc/29/80/34/385298034.db2.gz BWFAAEKOBZQOIB-DTWKUNHWSA-N 0 0 246.332 -0.477 20 70 BBIDRN COC[C@H]1CN(C(=O)[C@H]2CSCN2)CCO1 ZINC000160998383 385296601 /nfs/dbraw/zinc/29/66/01/385296601.db2.gz BWFAAEKOBZQOIB-RKDXNWHRSA-N 0 0 246.332 -0.477 20 70 BBIDRN COC[C@H](C)S(=O)(=O)NCC(C)(C)O ZINC000160999896 385734084 /nfs/dbraw/zinc/73/40/84/385734084.db2.gz KWIXEOJKPMGULP-ZETCQYMHSA-N 0 0 225.310 -0.288 20 70 BBIDRN COC[C@@H](C)S(=O)(=O)NCC(C)(C)O ZINC000161000010 388109156 /nfs/dbraw/zinc/10/91/56/388109156.db2.gz KWIXEOJKPMGULP-SSDOTTSWSA-N 0 0 225.310 -0.288 20 70 BBIDRN COC[C@H](O)CCNC(=O)c1cnsn1 ZINC000161002796 384456335 /nfs/dbraw/zinc/45/63/35/384456335.db2.gz CNBTUPFGIWYRTM-ZCFIWIBFSA-N 0 0 231.277 -0.335 20 70 BBIDRN COC[C@@H](O)CCNC(=O)c1cnsn1 ZINC000161002890 174490184 /nfs/dbraw/zinc/49/01/84/174490184.db2.gz CNBTUPFGIWYRTM-LURJTMIESA-N 0 0 231.277 -0.335 20 70 BBIDRN C[C@@H](CO)SCC(=O)N1CCN(C)CC1 ZINC000161003329 344375140 /nfs/dbraw/zinc/37/51/40/344375140.db2.gz BWZKSPAVURQYQI-VIFPVBQESA-N 0 0 232.349 -0.126 20 70 BBIDRN C[C@H](CO)SCC(=O)N1CCN(C)CC1 ZINC000161003463 344375070 /nfs/dbraw/zinc/37/50/70/344375070.db2.gz BWZKSPAVURQYQI-SECBINFHSA-N 0 0 232.349 -0.126 20 70 BBIDRN COCCN(CCO)S(=O)(=O)CCCF ZINC000161010453 200679421 /nfs/dbraw/zinc/67/94/21/200679421.db2.gz CPLYHEJDYKNFEV-UHFFFAOYSA-N 0 0 243.300 -0.384 20 70 BBIDRN C[C@]1(O)CCCN(C(=O)CS(C)(=O)=O)C1 ZINC000161020639 388002056 /nfs/dbraw/zinc/00/20/56/388002056.db2.gz FJMKHYKXHCYVLG-VIFPVBQESA-N 0 0 235.305 -0.596 20 70 BBIDRN C[C@@]1(O)CCCN(C(=O)CS(C)(=O)=O)C1 ZINC000161020766 388001264 /nfs/dbraw/zinc/00/12/64/388001264.db2.gz FJMKHYKXHCYVLG-SECBINFHSA-N 0 0 235.305 -0.596 20 70 BBIDRN NS(=O)(=O)NCCOC1CCCC1 ZINC000161021023 384002466 /nfs/dbraw/zinc/00/24/66/384002466.db2.gz OOAAAEWZMLEQPS-UHFFFAOYSA-N 0 0 208.283 -0.261 20 70 BBIDRN COC[C@@H](O)CCNC(=O)c1cc(C)ncn1 ZINC000161023317 323143527 /nfs/dbraw/zinc/14/35/27/323143527.db2.gz CKFZPRNEZZMFSX-VIFPVBQESA-N 0 0 239.275 -0.088 20 70 BBIDRN COC[C@H](O)CCNC(=O)c1cc(C)ncn1 ZINC000161023424 323143584 /nfs/dbraw/zinc/14/35/84/323143584.db2.gz CKFZPRNEZZMFSX-SECBINFHSA-N 0 0 239.275 -0.088 20 70 BBIDRN NS(=O)(=O)N[C@@H]1c2ccccc2C[C@H]1O ZINC000161025320 384531516 /nfs/dbraw/zinc/53/15/16/384531516.db2.gz DKPJHSBCPNNLHN-RKDXNWHRSA-N 0 0 228.273 -0.562 20 70 BBIDRN NS(=O)(=O)N[C@H]1c2ccccc2C[C@@H]1O ZINC000161025451 384530661 /nfs/dbraw/zinc/53/06/61/384530661.db2.gz DKPJHSBCPNNLHN-IUCAKERBSA-N 0 0 228.273 -0.562 20 70 BBIDRN CCN(C)S(=O)(=O)N(CCO)CCOC ZINC000161025910 384545362 /nfs/dbraw/zinc/54/53/62/384545362.db2.gz OQGXQXGXGXKOCC-UHFFFAOYSA-N 0 0 240.325 -0.876 20 70 BBIDRN C[C@]1(O)CCCN(C(=O)c2nc[nH]n2)C1 ZINC000161032272 384796207 /nfs/dbraw/zinc/79/62/07/384796207.db2.gz MXIGIDSDCODCQW-VIFPVBQESA-N 0 0 210.237 -0.208 20 70 BBIDRN C[C@@]1(O)CCCN(C(=O)c2nc[nH]n2)C1 ZINC000161032390 384795508 /nfs/dbraw/zinc/79/55/08/384795508.db2.gz MXIGIDSDCODCQW-SECBINFHSA-N 0 0 210.237 -0.208 20 70 BBIDRN C[C@]1(O)CCCN(C(=O)c2cn[nH]n2)C1 ZINC000161035271 384819731 /nfs/dbraw/zinc/81/97/31/384819731.db2.gz PPIWQMNUEHJMPA-VIFPVBQESA-N 0 0 210.237 -0.208 20 70 BBIDRN C[C@@]1(O)CCCN(C(=O)c2cn[nH]n2)C1 ZINC000161035398 384823855 /nfs/dbraw/zinc/82/38/55/384823855.db2.gz PPIWQMNUEHJMPA-SECBINFHSA-N 0 0 210.237 -0.208 20 70 BBIDRN CC(=O)NCC(=O)N1CCC[C@@](C)(O)C1 ZINC000161038976 384840927 /nfs/dbraw/zinc/84/09/27/384840927.db2.gz ARPYWIIHBKLBKP-SNVBAGLBSA-N 0 0 214.265 -0.504 20 70 BBIDRN CC(=O)NCC(=O)N1CCC[C@](C)(O)C1 ZINC000161039089 384849339 /nfs/dbraw/zinc/84/93/39/384849339.db2.gz ARPYWIIHBKLBKP-JTQLQIEISA-N 0 0 214.265 -0.504 20 70 BBIDRN COCCC1(CNC(=O)NC(CO)CO)CC1 ZINC000161054711 200699326 /nfs/dbraw/zinc/69/93/26/200699326.db2.gz HTJBNKXDWAUZQR-UHFFFAOYSA-N 0 0 246.307 -0.545 20 70 BBIDRN CC(C)OC(=O)c1ccn(CC(N)=O)c(=O)c1 ZINC000161063931 323145644 /nfs/dbraw/zinc/14/56/44/323145644.db2.gz XOKVCIOZFBTDPE-UHFFFAOYSA-N 0 0 238.243 -0.101 20 70 BBIDRN O=C(NCC(F)(F)F)N(CCO)CCO ZINC000161068471 133512190 /nfs/dbraw/zinc/51/21/90/133512190.db2.gz FMIHLKPBLZTJCQ-UHFFFAOYSA-N 0 0 230.186 -0.455 20 70 BBIDRN O=C(NC1(CO)CC1)c1ccc(=O)[nH]c1 ZINC000161072456 345251205 /nfs/dbraw/zinc/25/12/05/345251205.db2.gz OYGOUUJRUDTURJ-UHFFFAOYSA-N 0 0 208.217 -0.370 20 70 BBIDRN O=C(CCn1ccnc1)NC1(CO)CC1 ZINC000161074198 385116921 /nfs/dbraw/zinc/11/69/21/385116921.db2.gz HJMDPQIUDPJYFA-UHFFFAOYSA-N 0 0 209.249 -0.086 20 70 BBIDRN O=C(CN1CSCC1=O)NC1(CO)CC1 ZINC000161078386 385124357 /nfs/dbraw/zinc/12/43/57/385124357.db2.gz QDCUWABRMNJKOS-UHFFFAOYSA-N 0 0 230.289 -0.840 20 70 BBIDRN O=C(CNCC(F)(F)F)NC1(CO)CC1 ZINC000161079018 345252333 /nfs/dbraw/zinc/25/23/33/345252333.db2.gz IESFDYWLQSEKPT-UHFFFAOYSA-N 0 0 226.198 -0.221 20 70 BBIDRN CN1C[C@H](C(=O)NC2(CO)CC2)CC1=O ZINC000161079787 133511868 /nfs/dbraw/zinc/51/18/68/133511868.db2.gz VZUOXYYURPTUAG-SSDOTTSWSA-N 0 0 212.249 -0.894 20 70 BBIDRN CN1C[C@@H](C(=O)NC2(CO)CC2)CC1=O ZINC000161079912 133511909 /nfs/dbraw/zinc/51/19/09/133511909.db2.gz VZUOXYYURPTUAG-ZETCQYMHSA-N 0 0 212.249 -0.894 20 70 BBIDRN COC(=O)[C@H]1C[C@H]1C(=O)NC[C@@H](C)CCO ZINC000161087093 385154328 /nfs/dbraw/zinc/15/43/28/385154328.db2.gz UCCJOCJGELQAFW-YIZRAAEISA-N 0 0 229.276 -0.070 20 70 BBIDRN COC(=O)[C@H]1C[C@H]1C(=O)NC[C@H](C)CCO ZINC000161087222 385153955 /nfs/dbraw/zinc/15/39/55/385153955.db2.gz UCCJOCJGELQAFW-HLTSFMKQSA-N 0 0 229.276 -0.070 20 70 BBIDRN O=C(CN1CCCC1=O)NC1(CO)CC1 ZINC000161088803 385153969 /nfs/dbraw/zinc/15/39/69/385153969.db2.gz XYCWFDWGFZLAPJ-UHFFFAOYSA-N 0 0 212.249 -0.750 20 70 BBIDRN CC(=O)N[C@@H](C)C(=O)NC1(CO)CCC1 ZINC000161090296 538914144 /nfs/dbraw/zinc/91/41/44/538914144.db2.gz LFNPQORQEWKJHJ-ZETCQYMHSA-N 0 0 214.265 -0.458 20 70 BBIDRN CC(=O)N[C@H](C)C(=O)NC1(CO)CCC1 ZINC000161090426 538914063 /nfs/dbraw/zinc/91/40/63/538914063.db2.gz LFNPQORQEWKJHJ-SSDOTTSWSA-N 0 0 214.265 -0.458 20 70 BBIDRN COCCNC(=O)CNC(=O)[C@@H]1CCCCO1 ZINC000161110296 174320009 /nfs/dbraw/zinc/32/00/09/174320009.db2.gz MHXLNANXKOOIFD-VIFPVBQESA-N 0 0 244.291 -0.566 20 70 BBIDRN COCCNC(=O)CNC(=O)[C@H]1CCCCO1 ZINC000161110415 174320423 /nfs/dbraw/zinc/32/04/23/174320423.db2.gz MHXLNANXKOOIFD-SECBINFHSA-N 0 0 244.291 -0.566 20 70 BBIDRN O=C(NC1(CO)CCC1)[C@@H]1COCCO1 ZINC000161111846 538914674 /nfs/dbraw/zinc/91/46/74/538914674.db2.gz VULZMJPWMYHVHS-QMMMGPOBSA-N 0 0 215.249 -0.567 20 70 BBIDRN O=C(NC1(CO)CCC1)[C@H]1COCCO1 ZINC000161111955 538914506 /nfs/dbraw/zinc/91/45/06/538914506.db2.gz VULZMJPWMYHVHS-MRVPVSSYSA-N 0 0 215.249 -0.567 20 70 BBIDRN CNc1ccc(C(=O)NCCOC(N)=O)cn1 ZINC000161121008 384466398 /nfs/dbraw/zinc/46/63/98/384466398.db2.gz HCEPZKAAHZLMRO-UHFFFAOYSA-N 0 0 238.247 -0.052 20 70 BBIDRN CCN1CCO[C@H](C(=O)N[C@@H]2CCC[C@@H]2O)C1 ZINC000161141130 349374569 /nfs/dbraw/zinc/37/45/69/349374569.db2.gz MGEZIXRKSYLXHH-VWYCJHECSA-N 0 0 242.319 -0.263 20 70 BBIDRN COC(=O)CN1CCOC[C@H]1c1nc(C)no1 ZINC000161150079 385939373 /nfs/dbraw/zinc/93/93/73/385939373.db2.gz VOTZCDMXGJIALL-QMMMGPOBSA-N 0 0 241.247 -0.076 20 70 BBIDRN COC(=O)CN1CCOC[C@@H]1c1nc(C)no1 ZINC000161150217 385939582 /nfs/dbraw/zinc/93/95/82/385939582.db2.gz VOTZCDMXGJIALL-MRVPVSSYSA-N 0 0 241.247 -0.076 20 70 BBIDRN CCCN(C)S(=O)(=O)N1CC[C@@H](O)C1 ZINC000161150236 398098883 /nfs/dbraw/zinc/09/88/83/398098883.db2.gz ZFTCXEDEIHIBOV-MRVPVSSYSA-N 0 0 222.310 -0.360 20 70 BBIDRN O=S(=O)(CC[C@H]1CCCO1)N1CC[C@@H](O)C1 ZINC000161152581 538914705 /nfs/dbraw/zinc/91/47/05/538914705.db2.gz QBDRUWKWRFNGGT-NXEZZACHSA-N 0 0 249.332 -0.048 20 70 BBIDRN O=S(=O)(CC[C@@H]1CCCO1)N1CC[C@@H](O)C1 ZINC000161152710 538914394 /nfs/dbraw/zinc/91/43/94/538914394.db2.gz QBDRUWKWRFNGGT-ZJUUUORDSA-N 0 0 249.332 -0.048 20 70 BBIDRN C[C@](CO)(NS(N)(=O)=O)c1ccccc1 ZINC000161166022 363248828 /nfs/dbraw/zinc/24/88/28/363248828.db2.gz NWKNSZUWHVEKHD-SECBINFHSA-N 0 0 230.289 -0.313 20 70 BBIDRN C[C@@](CO)(NS(N)(=O)=O)c1ccccc1 ZINC000161166151 363251858 /nfs/dbraw/zinc/25/18/58/363251858.db2.gz NWKNSZUWHVEKHD-VIFPVBQESA-N 0 0 230.289 -0.313 20 70 BBIDRN C[C@@H](CO)NC(=O)N[C@@H](C)[C@H]1CN(C)CCO1 ZINC000161202926 541356872 /nfs/dbraw/zinc/35/68/72/541356872.db2.gz PBMNNJJSHOBYMS-LPEHRKFASA-N 0 0 245.323 -0.615 20 70 BBIDRN C[C@@H](NC(=O)N[C@@H](C)CO)[C@H]1CN(C)CCO1 ZINC000161203069 538914971 /nfs/dbraw/zinc/91/49/71/538914971.db2.gz PBMNNJJSHOBYMS-IVZWLZJFSA-N 0 0 245.323 -0.615 20 70 BBIDRN COC[C@H](O)CCNC(=O)COCC1CC1 ZINC000161227933 323469428 /nfs/dbraw/zinc/46/94/28/323469428.db2.gz UCIFLYGXGMOYNZ-SNVBAGLBSA-N 0 0 231.292 -0.073 20 70 BBIDRN COC[C@@H](O)CCNC(=O)COCC1CC1 ZINC000161228071 323075796 /nfs/dbraw/zinc/07/57/96/323075796.db2.gz UCIFLYGXGMOYNZ-JTQLQIEISA-N 0 0 231.292 -0.073 20 70 BBIDRN CC(=O)NCCNC(=O)c1cc(C)ncn1 ZINC000161229203 538915074 /nfs/dbraw/zinc/91/50/74/538915074.db2.gz YKMBAUNHUYRJRG-UHFFFAOYSA-N 0 0 222.248 -0.349 20 70 BBIDRN CN(C)C(=O)CN(C)CCn1ccnc1 ZINC000161260213 384476322 /nfs/dbraw/zinc/47/63/22/384476322.db2.gz VARRZMQFNOJUBF-UHFFFAOYSA-N 0 0 210.281 -0.097 20 70 BBIDRN COC[C@H](C)S(=O)(=O)N(C)[C@@H](C)CO ZINC000161277464 385960067 /nfs/dbraw/zinc/96/00/67/385960067.db2.gz QWMRORNFBFZPQC-YUMQZZPRSA-N 0 0 225.310 -0.336 20 70 BBIDRN COC[C@H](C)S(=O)(=O)N(C)[C@H](C)CO ZINC000161277555 133512383 /nfs/dbraw/zinc/51/23/83/133512383.db2.gz QWMRORNFBFZPQC-SFYZADRCSA-N 0 0 225.310 -0.336 20 70 BBIDRN COCCN(CCO)Cc1ccn(C)n1 ZINC000161280945 174294445 /nfs/dbraw/zinc/29/44/45/174294445.db2.gz RKJFJJTWCVENPW-UHFFFAOYSA-N 0 0 213.281 -0.139 20 70 BBIDRN CCNS(=O)(=O)N(C)CC(=O)OCC ZINC000161286415 384963414 /nfs/dbraw/zinc/96/34/14/384963414.db2.gz MJKZAXYBMQAUMK-UHFFFAOYSA-N 0 0 224.282 -0.664 20 70 BBIDRN CCNS(=O)(=O)N1CCNC(=O)[C@H]1CC ZINC000161288533 384962107 /nfs/dbraw/zinc/96/21/07/384962107.db2.gz WIZAAVZLUSLCOC-SSDOTTSWSA-N 0 0 235.309 -0.949 20 70 BBIDRN CCNS(=O)(=O)N1CCNC(=O)[C@@H]1CC ZINC000161288664 384961178 /nfs/dbraw/zinc/96/11/78/384961178.db2.gz WIZAAVZLUSLCOC-ZETCQYMHSA-N 0 0 235.309 -0.949 20 70 BBIDRN CCNS(=O)(=O)N1CCNC(=O)C1(C)C ZINC000161288829 384962709 /nfs/dbraw/zinc/96/27/09/384962709.db2.gz TVTBJHVHFBFGPN-UHFFFAOYSA-N 0 0 235.309 -0.949 20 70 BBIDRN CCNC(=O)CNC(=O)c1cc(C)ncn1 ZINC000161292441 538915365 /nfs/dbraw/zinc/91/53/65/538915365.db2.gz DZCCVKRSYWGQFY-UHFFFAOYSA-N 0 0 222.248 -0.349 20 70 BBIDRN COCCN(C)S(=O)(=O)N(C)[C@@H](C)CO ZINC000161305043 174283031 /nfs/dbraw/zinc/28/30/31/174283031.db2.gz UEYCMXXGNDDKLA-QMMMGPOBSA-N 0 0 240.325 -0.878 20 70 BBIDRN COCCN(C)S(=O)(=O)N(C)[C@H](C)CO ZINC000161305144 349419507 /nfs/dbraw/zinc/41/95/07/349419507.db2.gz UEYCMXXGNDDKLA-MRVPVSSYSA-N 0 0 240.325 -0.878 20 70 BBIDRN CN(C)C(=O)Cn1c(=O)onc1-c1cccnc1 ZINC000161312916 349420271 /nfs/dbraw/zinc/42/02/71/349420271.db2.gz PCKHQCYJBHTUQY-UHFFFAOYSA-N 0 0 248.242 -0.014 20 70 BBIDRN O=C(Cn1ccnn1)N1CCOC[C@@H]1C1CC1 ZINC000161315801 538654549 /nfs/dbraw/zinc/65/45/49/538654549.db2.gz IPVDTIGXMGZHAI-SNVBAGLBSA-N 0 0 236.275 -0.085 20 70 BBIDRN O=C(Cn1ccnn1)N1CCOC[C@H]1C1CC1 ZINC000161315938 538915260 /nfs/dbraw/zinc/91/52/60/538915260.db2.gz IPVDTIGXMGZHAI-JTQLQIEISA-N 0 0 236.275 -0.085 20 70 BBIDRN C[C@H](O)C(C)(C)NC(=O)[C@@H]1COCCO1 ZINC000161322269 388809990 /nfs/dbraw/zinc/80/99/90/388809990.db2.gz VQGODMXMKHVVNR-YUMQZZPRSA-N 0 0 217.265 -0.323 20 70 BBIDRN C[C@@H](O)C(C)(C)NC(=O)[C@@H]1COCCO1 ZINC000161322408 388810002 /nfs/dbraw/zinc/81/00/02/388810002.db2.gz VQGODMXMKHVVNR-SFYZADRCSA-N 0 0 217.265 -0.323 20 70 BBIDRN C[C@H](O)C(C)(C)NC(=O)[C@H]1COCCO1 ZINC000161322527 200710712 /nfs/dbraw/zinc/71/07/12/200710712.db2.gz VQGODMXMKHVVNR-JGVFFNPUSA-N 0 0 217.265 -0.323 20 70 BBIDRN C[C@@H](O)C(C)(C)NC(=O)[C@H]1COCCO1 ZINC000161322654 388810063 /nfs/dbraw/zinc/81/00/63/388810063.db2.gz VQGODMXMKHVVNR-HTQZYQBOSA-N 0 0 217.265 -0.323 20 70 BBIDRN CN(C)S(=O)(=O)NCCSCCCO ZINC000161325552 384969021 /nfs/dbraw/zinc/96/90/21/384969021.db2.gz KCVSHRBDRHCDLO-UHFFFAOYSA-N 0 0 242.366 -0.502 20 70 BBIDRN COCCOCC(=O)NC(C)(C)[C@H](C)O ZINC000161335673 346169934 /nfs/dbraw/zinc/16/99/34/346169934.db2.gz YHDDRAHNBUJGAB-QMMMGPOBSA-N 0 0 219.281 -0.075 20 70 BBIDRN COCCOCC(=O)NC(C)(C)[C@@H](C)O ZINC000161335784 133513078 /nfs/dbraw/zinc/51/30/78/133513078.db2.gz YHDDRAHNBUJGAB-MRVPVSSYSA-N 0 0 219.281 -0.075 20 70 BBIDRN CC(=O)N(C)CC(=O)NC(C)(C)[C@H](C)O ZINC000161338299 200723037 /nfs/dbraw/zinc/72/30/37/200723037.db2.gz FJMZAXPNWHQETN-ZETCQYMHSA-N 0 0 216.281 -0.260 20 70 BBIDRN CC(=O)N(C)CC(=O)NC(C)(C)[C@@H](C)O ZINC000161338429 205524597 /nfs/dbraw/zinc/52/45/97/205524597.db2.gz FJMZAXPNWHQETN-SSDOTTSWSA-N 0 0 216.281 -0.260 20 70 BBIDRN CC(=O)N[C@@H](C)C(=O)NC(C)(C)[C@@H](C)O ZINC000161341802 205524571 /nfs/dbraw/zinc/52/45/71/205524571.db2.gz CKZIGXJYGSZGCJ-NKWVEPMBSA-N 0 0 216.281 -0.213 20 70 BBIDRN CC(=O)N[C@H](C)C(=O)NC(C)(C)[C@@H](C)O ZINC000161341901 487491949 /nfs/dbraw/zinc/49/19/49/487491949.db2.gz CKZIGXJYGSZGCJ-RNFRBKRXSA-N 0 0 216.281 -0.213 20 70 BBIDRN CC(=O)N[C@@H](C)C(=O)NC(C)(C)[C@H](C)O ZINC000161342007 487491834 /nfs/dbraw/zinc/49/18/34/487491834.db2.gz CKZIGXJYGSZGCJ-BQBZGAKWSA-N 0 0 216.281 -0.213 20 70 BBIDRN CC(=O)N[C@H](C)C(=O)NC(C)(C)[C@H](C)O ZINC000161342107 487491809 /nfs/dbraw/zinc/49/18/09/487491809.db2.gz CKZIGXJYGSZGCJ-RQJHMYQMSA-N 0 0 216.281 -0.213 20 70 BBIDRN CNC(=O)CNC(=O)c1ccncc1F ZINC000161385775 536490910 /nfs/dbraw/zinc/49/09/10/536490910.db2.gz WWOCHNMBHFNONH-UHFFFAOYSA-N 0 0 211.196 -0.304 20 70 BBIDRN COC[C@@H](O)CCNC(=O)c1ccnc(C)n1 ZINC000161391216 538915202 /nfs/dbraw/zinc/91/52/02/538915202.db2.gz VWIXHVSUABZWOA-VIFPVBQESA-N 0 0 239.275 -0.088 20 70 BBIDRN COC[C@H](O)CCNC(=O)c1ccnc(C)n1 ZINC000161391339 538915227 /nfs/dbraw/zinc/91/52/27/538915227.db2.gz VWIXHVSUABZWOA-SECBINFHSA-N 0 0 239.275 -0.088 20 70 BBIDRN CS(=O)(=O)CCNC(=O)c1ccncc1F ZINC000161400153 385007372 /nfs/dbraw/zinc/00/73/72/385007372.db2.gz QPVLKNHVNDMQHD-UHFFFAOYSA-N 0 0 246.263 -0.005 20 70 BBIDRN O=C(c1cccc(-n2cnnn2)c1)N1CC(O)C1 ZINC000161402682 182670215 /nfs/dbraw/zinc/67/02/15/182670215.db2.gz UDFAIRHVORQETF-UHFFFAOYSA-N 0 0 245.242 -0.521 20 70 BBIDRN COC[C@H](O)CCNC(=O)c1nccnc1N ZINC000161406507 384485272 /nfs/dbraw/zinc/48/52/72/384485272.db2.gz SXGVFFAXKJNWBF-SSDOTTSWSA-N 0 0 240.263 -0.814 20 70 BBIDRN COC[C@@H](O)CCNC(=O)c1nccnc1N ZINC000161406662 384486512 /nfs/dbraw/zinc/48/65/12/384486512.db2.gz SXGVFFAXKJNWBF-ZETCQYMHSA-N 0 0 240.263 -0.814 20 70 BBIDRN O=C(COC[C@H]1CCCO1)N1CC(O)C1 ZINC000161418307 323075976 /nfs/dbraw/zinc/07/59/76/323075976.db2.gz KZSPTYLAXBNHSM-SECBINFHSA-N 0 0 215.249 -0.615 20 70 BBIDRN O=C(COC[C@@H]1CCCO1)N1CC(O)C1 ZINC000161418425 398128466 /nfs/dbraw/zinc/12/84/66/398128466.db2.gz KZSPTYLAXBNHSM-VIFPVBQESA-N 0 0 215.249 -0.615 20 70 BBIDRN CC(C)[C@@H](C(=O)N1CC(O)C1)N1CCCC1=O ZINC000161423763 323512348 /nfs/dbraw/zinc/51/23/48/323512348.db2.gz NTLWSAIYPFUPKL-NSHDSACASA-N 0 0 240.303 -0.164 20 70 BBIDRN CC(C)[C@H](C(=O)N1CC(O)C1)N1CCCC1=O ZINC000161423883 387209533 /nfs/dbraw/zinc/20/95/33/387209533.db2.gz NTLWSAIYPFUPKL-LLVKDONJSA-N 0 0 240.303 -0.164 20 70 BBIDRN O=C(c1cccc2c1OCC(=O)N2)N1CC(O)C1 ZINC000161426347 385033308 /nfs/dbraw/zinc/03/33/08/385033308.db2.gz GCUPVPXVSJTXJD-UHFFFAOYSA-N 0 0 248.238 -0.166 20 70 BBIDRN COC(=O)N[C@@H](CC(C)C)C(=O)N1CC(O)C1 ZINC000161430518 323513580 /nfs/dbraw/zinc/51/35/80/323513580.db2.gz ZXZZUUZFOHKEBX-VIFPVBQESA-N 0 0 244.291 -0.040 20 70 BBIDRN O=C([C@H]1Cc2ccccc2C(=O)O1)N1CC(O)C1 ZINC000161437064 384489672 /nfs/dbraw/zinc/48/96/72/384489672.db2.gz VHLQVMFKEZQTSC-LLVKDONJSA-N 0 0 247.250 -0.029 20 70 BBIDRN O=C([C@@H]1Cc2ccccc2C(=O)O1)N1CC(O)C1 ZINC000161437200 384489535 /nfs/dbraw/zinc/48/95/35/384489535.db2.gz VHLQVMFKEZQTSC-NSHDSACASA-N 0 0 247.250 -0.029 20 70 BBIDRN COC(=O)CNC(=O)c1cc(C)ncn1 ZINC000161437411 323075944 /nfs/dbraw/zinc/07/59/44/323075944.db2.gz YCZDWYXBZFLMPJ-UHFFFAOYSA-N 0 0 209.205 -0.312 20 70 BBIDRN CCCNC(=O)CCCC(=O)N1CC(O)C1 ZINC000161442789 169215360 /nfs/dbraw/zinc/21/53/60/169215360.db2.gz WBOYYDARYSWAOL-UHFFFAOYSA-N 0 0 228.292 -0.114 20 70 BBIDRN COc1ccnc(C(=O)N2CC(O)C2)c1 ZINC000161443308 538730536 /nfs/dbraw/zinc/73/05/36/538730536.db2.gz UMHFKFGRYJTQAT-UHFFFAOYSA-N 0 0 208.217 -0.093 20 70 BBIDRN COC(=O)NCCCC(=O)N1CC(O)C1 ZINC000161453084 323520074 /nfs/dbraw/zinc/52/00/74/323520074.db2.gz GFPSOYLURFZAGL-UHFFFAOYSA-N 0 0 216.237 -0.674 20 70 BBIDRN O=C(CS(=O)(=O)C1CCCC1)N1CC(O)C1 ZINC000161458676 398282977 /nfs/dbraw/zinc/28/29/77/398282977.db2.gz QVGASTPEJFEETF-UHFFFAOYSA-N 0 0 247.316 -0.453 20 70 BBIDRN O=C(c1n[nH]c2c1CCC2)N1CC(O)C1 ZINC000161458834 398282890 /nfs/dbraw/zinc/28/28/90/398282890.db2.gz HSXGTOBMVRCHHV-UHFFFAOYSA-N 0 0 207.233 -0.285 20 70 BBIDRN CC(C)CS(=O)(=O)CC(=O)N1CC(O)C1 ZINC000161458976 385071551 /nfs/dbraw/zinc/07/15/51/385071551.db2.gz NBHQIQCITXBEKV-UHFFFAOYSA-N 0 0 235.305 -0.740 20 70 BBIDRN CC(=O)N1CSC[C@@H]1C(=O)N1CC(O)C1 ZINC000161462715 369096255 /nfs/dbraw/zinc/09/62/55/369096255.db2.gz FKVJXTXDZBMUMF-MRVPVSSYSA-N 0 0 230.289 -0.889 20 70 BBIDRN CC(=O)N1CSC[C@H]1C(=O)N1CC(O)C1 ZINC000161462852 369096919 /nfs/dbraw/zinc/09/69/19/369096919.db2.gz FKVJXTXDZBMUMF-QMMMGPOBSA-N 0 0 230.289 -0.889 20 70 BBIDRN CCCOCC(=O)NCC[C@H](O)COC ZINC000161463961 385973436 /nfs/dbraw/zinc/97/34/36/385973436.db2.gz LTKPXBCCQBDZKO-VIFPVBQESA-N 0 0 219.281 -0.073 20 70 BBIDRN CCCOCC(=O)NCC[C@@H](O)COC ZINC000161464070 385080934 /nfs/dbraw/zinc/08/09/34/385080934.db2.gz LTKPXBCCQBDZKO-SECBINFHSA-N 0 0 219.281 -0.073 20 70 BBIDRN CCOCCC(=O)NCC[C@H](O)COC ZINC000161468712 385084309 /nfs/dbraw/zinc/08/43/09/385084309.db2.gz OQBNELVRGRHHBC-VIFPVBQESA-N 0 0 219.281 -0.073 20 70 BBIDRN CCOCCC(=O)NCC[C@@H](O)COC ZINC000161468814 385085344 /nfs/dbraw/zinc/08/53/44/385085344.db2.gz OQBNELVRGRHHBC-SECBINFHSA-N 0 0 219.281 -0.073 20 70 BBIDRN COC(=O)N[C@H](C(=O)N1CC(O)C1)C(C)C ZINC000161470753 323076087 /nfs/dbraw/zinc/07/60/87/323076087.db2.gz TXVWGMOSCPJSSX-QMMMGPOBSA-N 0 0 230.264 -0.430 20 70 BBIDRN CC(C)S(=O)(=O)CC(=O)N1CC(O)C1 ZINC000161473134 397735779 /nfs/dbraw/zinc/73/57/79/397735779.db2.gz HVVCKNQWPALWJD-UHFFFAOYSA-N 0 0 221.278 -0.987 20 70 BBIDRN CCCS(=O)(=O)CC(=O)N1CC(O)C1 ZINC000161473443 200712134 /nfs/dbraw/zinc/71/21/34/200712134.db2.gz WMPMQQVIBSFPEZ-UHFFFAOYSA-N 0 0 221.278 -0.986 20 70 BBIDRN CC(C)CCC(=O)NCC(=O)N1CC(O)C1 ZINC000161475734 385974202 /nfs/dbraw/zinc/97/42/02/385974202.db2.gz ZLYVCNICLSAUIY-UHFFFAOYSA-N 0 0 228.292 -0.258 20 70 BBIDRN O=C1CNC(=O)N1CC[N@@H+]1CCCSCC1 ZINC000161480078 398284650 /nfs/dbraw/zinc/28/46/50/398284650.db2.gz PZAJXOHCYHCACE-UHFFFAOYSA-N 0 0 243.332 -0.023 20 70 BBIDRN CC(C)(C)OC(=O)NCC(=O)N1CC(O)C1 ZINC000161482600 388466368 /nfs/dbraw/zinc/46/63/68/388466368.db2.gz FRXLIHIEMWYBFE-UHFFFAOYSA-N 0 0 230.264 -0.286 20 70 BBIDRN CNC(=O)CNC(=O)CNC(=O)C(C)(C)C ZINC000216720404 350012009 /nfs/dbraw/zinc/01/20/09/350012009.db2.gz CVNYMZKWJCZQER-UHFFFAOYSA-N 0 0 229.280 -0.989 20 70 BBIDRN COC(=O)C(C)(C)NC(=O)C(C)(C)NC(C)=O ZINC000216800687 343230671 /nfs/dbraw/zinc/23/06/71/343230671.db2.gz USZPXRQPOFMISZ-UHFFFAOYSA-N 0 0 244.291 -0.031 20 70 BBIDRN COC(=O)CN(C)C(=O)[C@@H]1CCCC(=O)N1 ZINC000216826671 350017802 /nfs/dbraw/zinc/01/78/02/350017802.db2.gz QOKIUWMWKWVJGA-ZETCQYMHSA-N 0 0 228.248 -0.714 20 70 BBIDRN COC(=O)CN(C)C(=O)[C@H]1CCCC(=O)N1 ZINC000216826711 350017625 /nfs/dbraw/zinc/01/76/25/350017625.db2.gz QOKIUWMWKWVJGA-SSDOTTSWSA-N 0 0 228.248 -0.714 20 70 BBIDRN COC[C@H](O)CNC(=O)/C=C\c1ccnn1C ZINC000217128838 398088487 /nfs/dbraw/zinc/08/84/87/398088487.db2.gz VEENMTXJBRAFFZ-UMBAGQNISA-N 0 0 239.275 -0.443 20 70 BBIDRN COC[C@@H](O)CNC(=O)/C=C\c1cnn(C)c1 ZINC000217131215 592099783 /nfs/dbraw/zinc/09/97/83/592099783.db2.gz VREXGPWWSIJRRK-XOULXFPDSA-N 0 0 239.275 -0.443 20 70 BBIDRN COC[C@H](O)CNC(=O)/C=C\c1cnn(C)c1 ZINC000217131231 592099890 /nfs/dbraw/zinc/09/98/90/592099890.db2.gz VREXGPWWSIJRRK-UMBAGQNISA-N 0 0 239.275 -0.443 20 70 BBIDRN O=C(Nc1cccnc1)N(CCO)CCO ZINC000217264667 134246675 /nfs/dbraw/zinc/24/66/75/134246675.db2.gz HQTLQOWKEKRORB-UHFFFAOYSA-N 0 0 225.248 -0.100 20 70 BBIDRN COCCNC(=O)N[C@H]1CC(=O)N(C(C)C)C1 ZINC000217287974 134246698 /nfs/dbraw/zinc/24/66/98/134246698.db2.gz MVARAEPPXMEAKR-VIFPVBQESA-N 0 0 243.307 -0.059 20 70 BBIDRN COCCNC(=O)N[C@@H]1CC(=O)N(C(C)C)C1 ZINC000217287976 134246686 /nfs/dbraw/zinc/24/66/86/134246686.db2.gz MVARAEPPXMEAKR-SECBINFHSA-N 0 0 243.307 -0.059 20 70 BBIDRN CC(C)N1C[C@@H](NC(=O)NC[C@@H](C)O)CC1=O ZINC000217288420 384563752 /nfs/dbraw/zinc/56/37/52/384563752.db2.gz YEKRYAOOFGNMAQ-BDAKNGLRSA-N 0 0 243.307 -0.324 20 70 BBIDRN CC(C)N1C[C@@H](NC(=O)NC[C@H](C)O)CC1=O ZINC000217288421 384563198 /nfs/dbraw/zinc/56/31/98/384563198.db2.gz YEKRYAOOFGNMAQ-IUCAKERBSA-N 0 0 243.307 -0.324 20 70 BBIDRN CC(C)N1C[C@H](NC(=O)NC[C@@H](C)O)CC1=O ZINC000217288422 384563389 /nfs/dbraw/zinc/56/33/89/384563389.db2.gz YEKRYAOOFGNMAQ-RKDXNWHRSA-N 0 0 243.307 -0.324 20 70 BBIDRN CC(C)N1C[C@H](NC(=O)NC[C@H](C)O)CC1=O ZINC000217288423 384562982 /nfs/dbraw/zinc/56/29/82/384562982.db2.gz YEKRYAOOFGNMAQ-DTWKUNHWSA-N 0 0 243.307 -0.324 20 70 BBIDRN CC(C)N1C[C@H](NC(=O)NCCCO)CC1=O ZINC000217288523 134246604 /nfs/dbraw/zinc/24/66/04/134246604.db2.gz MMMBRMOUWGKAGG-SECBINFHSA-N 0 0 243.307 -0.323 20 70 BBIDRN CC(C)N1C[C@@H](NC(=O)NCCCO)CC1=O ZINC000217288525 535261810 /nfs/dbraw/zinc/26/18/10/535261810.db2.gz MMMBRMOUWGKAGG-VIFPVBQESA-N 0 0 243.307 -0.323 20 70 BBIDRN CC(C)N1C[C@H](NC(=O)N(C)CCO)CC1=O ZINC000217288630 256840857 /nfs/dbraw/zinc/84/08/57/256840857.db2.gz ODZJMEWSXSTAIN-SECBINFHSA-N 0 0 243.307 -0.371 20 70 BBIDRN CC(C)N1C[C@@H](NC(=O)N(C)CCO)CC1=O ZINC000217288632 384563148 /nfs/dbraw/zinc/56/31/48/384563148.db2.gz ODZJMEWSXSTAIN-VIFPVBQESA-N 0 0 243.307 -0.371 20 70 BBIDRN CC(C)N1C[C@H](NC(=O)NCCO)CC1=O ZINC000217288697 256840800 /nfs/dbraw/zinc/84/08/00/256840800.db2.gz USSWCYXJTQNNFQ-MRVPVSSYSA-N 0 0 229.280 -0.713 20 70 BBIDRN CC(C)N1C[C@@H](NC(=O)NCCO)CC1=O ZINC000217288699 388369261 /nfs/dbraw/zinc/36/92/61/388369261.db2.gz USSWCYXJTQNNFQ-QMMMGPOBSA-N 0 0 229.280 -0.713 20 70 BBIDRN O=C(Nc1ccncc1)N(CCO)CCO ZINC000217309287 134246625 /nfs/dbraw/zinc/24/66/25/134246625.db2.gz WWPMRFMTTPMDDS-UHFFFAOYSA-N 0 0 225.248 -0.100 20 70 BBIDRN O=C(Nc1ccccn1)N(CCO)CCO ZINC000217311288 134246676 /nfs/dbraw/zinc/24/66/76/134246676.db2.gz NAQNYICRHBRSCX-UHFFFAOYSA-N 0 0 225.248 -0.100 20 70 BBIDRN Cn1nccc1/C=C\C(=O)N1CC(CO)C1 ZINC000217382644 259352282 /nfs/dbraw/zinc/35/22/82/259352282.db2.gz NJCFFQPMSLMXHN-IHWYPQMZSA-N 0 0 221.260 -0.116 20 70 BBIDRN NC(=O)CCNC(=O)[C@@H](O)c1ccccc1 ZINC000217441581 350056205 /nfs/dbraw/zinc/05/62/05/350056205.db2.gz NGZILXZXZCIIOY-JTQLQIEISA-N 0 0 222.244 -0.288 20 70 BBIDRN COCCNC(=S)N[C@@H]1CCN(C)C1=O ZINC000217546372 592126366 /nfs/dbraw/zinc/12/63/66/592126366.db2.gz NFDDPRYRSSLEJU-SSDOTTSWSA-N 0 0 231.321 -0.672 20 70 BBIDRN COCCNC(=S)N[C@H]1CCN(C)C1=O ZINC000217546441 592125265 /nfs/dbraw/zinc/12/52/65/592125265.db2.gz NFDDPRYRSSLEJU-ZETCQYMHSA-N 0 0 231.321 -0.672 20 70 BBIDRN CC(C)OCC(=O)N[C@@H]1CCN(C)C1=O ZINC000217569409 385426125 /nfs/dbraw/zinc/42/61/25/385426125.db2.gz KTGSXTIXOFMDFH-MRVPVSSYSA-N 0 0 214.265 -0.242 20 70 BBIDRN CC(C)OCC(=O)N[C@H]1CCN(C)C1=O ZINC000217569493 388376933 /nfs/dbraw/zinc/37/69/33/388376933.db2.gz KTGSXTIXOFMDFH-QMMMGPOBSA-N 0 0 214.265 -0.242 20 70 BBIDRN COC(=O)CCCNC(=O)CNC(C)=O ZINC000217601477 357263370 /nfs/dbraw/zinc/26/33/70/357263370.db2.gz LKVBMTUZFUJNRK-UHFFFAOYSA-N 0 0 216.237 -0.808 20 70 BBIDRN C/C=C/C(=O)NCCS(=O)(=O)NCC ZINC000217608743 592143127 /nfs/dbraw/zinc/14/31/27/592143127.db2.gz SYUMRWOASWMRTO-HWKANZROSA-N 0 0 220.294 -0.382 20 70 BBIDRN CN1CC[C@@H](NC(=O)c2cn[nH]c2)C1=O ZINC000217616469 173123103 /nfs/dbraw/zinc/12/31/03/173123103.db2.gz ZXRJYPCZORBPIR-SSDOTTSWSA-N 0 0 208.221 -0.630 20 70 BBIDRN CN1CC[C@H](NC(=O)c2cn[nH]c2)C1=O ZINC000217616549 388571281 /nfs/dbraw/zinc/57/12/81/388571281.db2.gz ZXRJYPCZORBPIR-ZETCQYMHSA-N 0 0 208.221 -0.630 20 70 BBIDRN COCCCC(=O)NC[C@@H](O)C(=O)OC ZINC000217685743 136278064 /nfs/dbraw/zinc/27/80/64/136278064.db2.gz GJVNCLMNNRJFOU-SSDOTTSWSA-N 0 0 219.237 -0.937 20 70 BBIDRN COCCCC(=O)NC[C@H](O)C(=O)OC ZINC000217685807 134249460 /nfs/dbraw/zinc/24/94/60/134249460.db2.gz GJVNCLMNNRJFOU-ZETCQYMHSA-N 0 0 219.237 -0.937 20 70 BBIDRN COC(=O)[C@@H](O)CNC(=O)[C@@H]1CC[C@@H](C)O1 ZINC000217693821 136277888 /nfs/dbraw/zinc/27/78/88/136277888.db2.gz YUINHASDUBUANM-CSMHCCOUSA-N 0 0 231.248 -0.796 20 70 BBIDRN COC(=O)[C@@H](O)CNC(=O)[C@H]1CC[C@@H](C)O1 ZINC000217693978 136277915 /nfs/dbraw/zinc/27/79/15/136277915.db2.gz YUINHASDUBUANM-GJMOJQLCSA-N 0 0 231.248 -0.796 20 70 BBIDRN COC(=O)[C@@H](O)CNC(=O)c1ccco1 ZINC000217697146 134249730 /nfs/dbraw/zinc/24/97/30/134249730.db2.gz XTPUBEVSRNDEPQ-LURJTMIESA-N 0 0 213.189 -0.457 20 70 BBIDRN COC(=O)[C@H](O)CNC(=O)c1ccco1 ZINC000217697232 134249384 /nfs/dbraw/zinc/24/93/84/134249384.db2.gz XTPUBEVSRNDEPQ-ZCFIWIBFSA-N 0 0 213.189 -0.457 20 70 BBIDRN COC(=O)[C@@H](O)CNC(=O)c1ccoc1 ZINC000217703656 134250419 /nfs/dbraw/zinc/25/04/19/134250419.db2.gz JXCIRKREUVZFRP-ZETCQYMHSA-N 0 0 213.189 -0.457 20 70 BBIDRN COC(=O)[C@H](O)CNC(=O)c1ccoc1 ZINC000217703748 134250593 /nfs/dbraw/zinc/25/05/93/134250593.db2.gz JXCIRKREUVZFRP-SSDOTTSWSA-N 0 0 213.189 -0.457 20 70 BBIDRN CCOCCC(=O)NC[C@@H](O)C(=O)OC ZINC000217709373 359382806 /nfs/dbraw/zinc/38/28/06/359382806.db2.gz ITJYSSPVZYSWGH-SSDOTTSWSA-N 0 0 219.237 -0.937 20 70 BBIDRN CCOCCC(=O)NC[C@H](O)C(=O)OC ZINC000217709447 535456503 /nfs/dbraw/zinc/45/65/03/535456503.db2.gz ITJYSSPVZYSWGH-ZETCQYMHSA-N 0 0 219.237 -0.937 20 70 BBIDRN COC(=O)[C@@H](O)CNC(=O)c1ccc[nH]1 ZINC000217727558 134250780 /nfs/dbraw/zinc/25/07/80/134250780.db2.gz ILUZAWRIGGYTTL-ZETCQYMHSA-N 0 0 212.205 -0.722 20 70 BBIDRN COC(=O)[C@H](O)CNC(=O)c1ccc[nH]1 ZINC000217727635 134250581 /nfs/dbraw/zinc/25/05/81/134250581.db2.gz ILUZAWRIGGYTTL-SSDOTTSWSA-N 0 0 212.205 -0.722 20 70 BBIDRN COC(=O)[C@@H](O)CNC(=O)CC(F)(F)F ZINC000217734814 134250724 /nfs/dbraw/zinc/25/07/24/134250724.db2.gz SMSUPBQTAYINNS-BYPYZUCNSA-N 0 0 229.154 -0.411 20 70 BBIDRN COC(=O)CC[C@@H](NC(=O)OC)C(=O)OC ZINC000217791430 592149477 /nfs/dbraw/zinc/14/94/77/592149477.db2.gz BEZRQEBSERLHDA-ZCFIWIBFSA-N 0 0 233.220 -0.163 20 70 BBIDRN COC(=O)C[C@H](NC(=O)OC)C(=O)OC ZINC000217802918 582713611 /nfs/dbraw/zinc/71/36/11/582713611.db2.gz QELJQMBVXSZXMG-YFKPBYRVSA-N 0 0 219.193 -0.553 20 70 BBIDRN COC(=O)C[C@@H](NC(=O)OC)C(=O)OC ZINC000217802999 592149119 /nfs/dbraw/zinc/14/91/19/592149119.db2.gz QELJQMBVXSZXMG-RXMQYKEDSA-N 0 0 219.193 -0.553 20 70 BBIDRN CCN(C)C(=O)CNC(=O)CCC(C)=O ZINC000217914898 388575244 /nfs/dbraw/zinc/57/52/44/388575244.db2.gz ADBFZRDUXNJLRV-UHFFFAOYSA-N 0 0 214.265 -0.050 20 70 BBIDRN CN1C[C@@H](C(=O)N[C@@H]2CCC[C@@H]2CO)CC1=O ZINC000217932041 388574960 /nfs/dbraw/zinc/57/49/60/388574960.db2.gz AMWKHTAJFSTTFC-KXUCPTDWSA-N 0 0 240.303 -0.258 20 70 BBIDRN CCOC(=O)CN1CCCS(=O)(=O)CC1 ZINC000217933797 535677586 /nfs/dbraw/zinc/67/75/86/535677586.db2.gz NTSHITNTNOEIMM-UHFFFAOYSA-N 0 0 235.305 -0.330 20 70 BBIDRN CCC[C@@H](O)CNC(=O)[C@@H]([NH3+])COC ZINC000217976114 134251231 /nfs/dbraw/zinc/25/12/31/134251231.db2.gz XRUNSEQMXNFWQA-SFYZADRCSA-N 0 0 204.270 -0.763 20 70 BBIDRN COC(=O)CCNC(=O)c1ccn(C)n1 ZINC000218026945 372048666 /nfs/dbraw/zinc/04/86/66/372048666.db2.gz CDBXGJWTVFOECU-UHFFFAOYSA-N 0 0 211.221 -0.287 20 70 BBIDRN COC(=O)CN(C)C(=O)c1ccn(C)n1 ZINC000218027052 372049211 /nfs/dbraw/zinc/04/92/11/372049211.db2.gz ROOVVXQJSQLTKS-UHFFFAOYSA-N 0 0 211.221 -0.335 20 70 BBIDRN CCOC(=O)CNC(=O)c1ccn(C)n1 ZINC000218030223 372048548 /nfs/dbraw/zinc/04/85/48/372048548.db2.gz WCMJGCOHQBQDOU-UHFFFAOYSA-N 0 0 211.221 -0.287 20 70 BBIDRN COC(=O)[C@@H]1CCN(C(=O)C[NH+](C)C)C1 ZINC000218030346 134251141 /nfs/dbraw/zinc/25/11/41/134251141.db2.gz BDYNMLQXPFMBOT-MRVPVSSYSA-N 0 0 214.265 -0.431 20 70 BBIDRN COC(=O)[C@H]1CCN(C(=O)C[NH+](C)C)C1 ZINC000218030430 134250983 /nfs/dbraw/zinc/25/09/83/134250983.db2.gz BDYNMLQXPFMBOT-QMMMGPOBSA-N 0 0 214.265 -0.431 20 70 BBIDRN CCc1ncnc(NC(CO)CO)c1F ZINC000218041080 172032053 /nfs/dbraw/zinc/03/20/53/172032053.db2.gz HPGSAZFPHFYPRG-UHFFFAOYSA-N 0 0 215.228 -0.057 20 70 BBIDRN CC(C)(CNc1ccc(C(N)=O)nn1)C(N)=O ZINC000218049698 535154985 /nfs/dbraw/zinc/15/49/85/535154985.db2.gz PJNVGNHJLVMAEF-UHFFFAOYSA-N 0 0 237.263 -0.501 20 70 BBIDRN Cc1noc(CCNc2ccc(C(N)=O)nn2)n1 ZINC000218051180 134251384 /nfs/dbraw/zinc/25/13/84/134251384.db2.gz ZCLMWGJZTMPQPW-UHFFFAOYSA-N 0 0 248.246 -0.078 20 70 BBIDRN CC(C)OC(=O)CN1CCC(=O)NC1=O ZINC000218055465 345745306 /nfs/dbraw/zinc/74/53/06/345745306.db2.gz UAQUMBHRPMUNQN-UHFFFAOYSA-N 0 0 214.221 -0.120 20 70 BBIDRN COCCOCC(=O)N(CC(N)=O)C(C)C ZINC000218065656 134251614 /nfs/dbraw/zinc/25/16/14/134251614.db2.gz MNKCDRAXWBXYCQ-UHFFFAOYSA-N 0 0 232.280 -0.628 20 70 BBIDRN CCc1ncnc(NC[C@@H](O)CO)c1F ZINC000218073641 172032278 /nfs/dbraw/zinc/03/22/78/172032278.db2.gz GESDSACVEDOVRC-ZCFIWIBFSA-N 0 0 215.228 -0.057 20 70 BBIDRN CCc1ncnc(NC[C@H](O)CO)c1F ZINC000218073722 172032501 /nfs/dbraw/zinc/03/25/01/172032501.db2.gz GESDSACVEDOVRC-LURJTMIESA-N 0 0 215.228 -0.057 20 70 BBIDRN Cn1cc(/C=C\C(=O)NC[C@@](C)(O)CO)cn1 ZINC000218147077 592152407 /nfs/dbraw/zinc/15/24/07/592152407.db2.gz DWXXRZLDZRYISR-DLRQAJBASA-N 0 0 239.275 -0.707 20 70 BBIDRN Cn1cc(/C=C\C(=O)NC[C@](C)(O)CO)cn1 ZINC000218147145 592152566 /nfs/dbraw/zinc/15/25/66/592152566.db2.gz DWXXRZLDZRYISR-BYCRGOAPSA-N 0 0 239.275 -0.707 20 70 BBIDRN Cn1nccc1/C=C\C(=O)NC[C@@](C)(O)CO ZINC000218158922 256844763 /nfs/dbraw/zinc/84/47/63/256844763.db2.gz DBWKXHKCSFNZIH-DLRQAJBASA-N 0 0 239.275 -0.707 20 70 BBIDRN Cn1nccc1/C=C\C(=O)NC[C@](C)(O)CO ZINC000218159015 256844676 /nfs/dbraw/zinc/84/46/76/256844676.db2.gz DBWKXHKCSFNZIH-BYCRGOAPSA-N 0 0 239.275 -0.707 20 70 BBIDRN C[C@](O)(CO)CNC(=O)/C=C\c1cccnc1 ZINC000218169595 388577259 /nfs/dbraw/zinc/57/72/59/388577259.db2.gz OGOFJTCGMXTWCA-QMAVJUDZSA-N 0 0 236.271 -0.046 20 70 BBIDRN C[C@@](O)(CO)CNC(=O)/C=C\c1cccnc1 ZINC000218169684 256845599 /nfs/dbraw/zinc/84/55/99/256845599.db2.gz OGOFJTCGMXTWCA-RXNFCKPNSA-N 0 0 236.271 -0.046 20 70 BBIDRN CC(=O)N[C@H](CC(C)C)C(=O)OCC(N)=O ZINC000218178382 583173086 /nfs/dbraw/zinc/17/30/86/583173086.db2.gz CKVMLEZKMDQKNS-MRVPVSSYSA-N 0 0 230.264 -0.434 20 70 BBIDRN COC(=O)c1cc(C(=O)OC)n(CCO)n1 ZINC000218190560 592153431 /nfs/dbraw/zinc/15/34/31/592153431.db2.gz OSSOPEPMYIBWAI-UHFFFAOYSA-N 0 0 228.204 -0.551 20 70 BBIDRN COC(=O)c1cc(C(=O)OC)n(CCCO)n1 ZINC000218190987 582717043 /nfs/dbraw/zinc/71/70/43/582717043.db2.gz MPZMNFINGMGGDA-UHFFFAOYSA-N 0 0 242.231 -0.161 20 70 BBIDRN NS(=O)(=O)c1ccc(C[NH2+]CCO)cc1 ZINC000218333647 411797661 /nfs/dbraw/zinc/79/76/61/411797661.db2.gz GHPSQMYFGCMOMO-UHFFFAOYSA-N 0 0 230.289 -0.584 20 70 BBIDRN COCCOCC(=O)N(C)CC(=O)NC(C)C ZINC000218473944 350094514 /nfs/dbraw/zinc/09/45/14/350094514.db2.gz KMAGNCZQZNSDOA-UHFFFAOYSA-N 0 0 246.307 -0.368 20 70 BBIDRN COCCOCC(=O)N(C)CC(=O)NC1CC1 ZINC000218474258 350094346 /nfs/dbraw/zinc/09/43/46/350094346.db2.gz WAXAVJVYSVNDKR-UHFFFAOYSA-N 0 0 244.291 -0.614 20 70 BBIDRN CC(=O)NCCNC(=O)NCC1CCOCC1 ZINC000218714546 534433935 /nfs/dbraw/zinc/43/39/35/534433935.db2.gz MISGHPULMVMRMA-UHFFFAOYSA-N 0 0 243.307 -0.152 20 70 BBIDRN Cn1cnc(CNC(=S)NC2CC2)n1 ZINC000218738321 592175957 /nfs/dbraw/zinc/17/59/57/592175957.db2.gz HJKBHRZELBNTFD-UHFFFAOYSA-N 0 0 211.294 -0.058 20 70 BBIDRN