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1.439 20 0 ADADMN CC(C)CC[N@H+]1C[C@H](C)[C@@H](C(=O)[O-])C1 82557686 572048372 /nfs/dbraw/zinc/04/83/72/572048372.db2.gz GCTZIHAOOYYVAL-UWVGGRQHSA-N 0 1 199.294 1.685 20 0 ADADMN Cc1nnc(SCC(=O)C(C)C)[nH]1 82563329 572052065 /nfs/dbraw/zinc/05/20/65/572052065.db2.gz MGCTUIMDDKQSNZ-UHFFFAOYSA-N 0 1 199.279 1.430 20 0 ADADMN Cc1n[nH]c(SCC(=O)C(C)C)n1 82563329 572052068 /nfs/dbraw/zinc/05/20/68/572052068.db2.gz MGCTUIMDDKQSNZ-UHFFFAOYSA-N 0 1 199.279 1.430 20 0 ADADMN C[C@H](O)CN1CCC=C(Cl)C1 404346818 572055112 /nfs/dbraw/zinc/05/51/12/572055112.db2.gz MYCLBFWKIICHEL-ZETCQYMHSA-N 0 1 175.659 1.196 20 0 ADADMN C/C(=C\C(=O)[O-])C[N@H+](C)[C@H](C)C(C)C 82604480 572063355 /nfs/dbraw/zinc/06/33/55/572063355.db2.gz MGVMBRFOJSZVEG-OLKPEBQYSA-N 0 1 199.294 1.994 20 0 ADADMN C/C(=C\C(=O)[O-])C[N@H+](C)[C@@H](C)C1CC1 82604475 572063366 /nfs/dbraw/zinc/06/33/66/572063366.db2.gz HSNDDCDMMHOECE-ORZBULNSSA-N 0 1 197.278 1.748 20 0 ADADMN C/C(=C\C(=O)[O-])C[N@H+](C)[C@H](C)C1CC1 82604477 572063853 /nfs/dbraw/zinc/06/38/53/572063853.db2.gz HSNDDCDMMHOECE-BNICOGTQSA-N 0 1 197.278 1.748 20 0 ADADMN CCC[N@@H+](C)C/C(C)=C/C(=O)[O-] 82604412 572064086 /nfs/dbraw/zinc/06/40/86/572064086.db2.gz OSLCMVGOPZXCNV-SOFGYWHQSA-N 0 1 171.240 1.359 20 0 ADADMN CC[N@H+](C/C(C)=C/C(=O)[O-])CC(C)C 82604421 572064140 /nfs/dbraw/zinc/06/41/40/572064140.db2.gz JAQPGANZABCARF-UXBLZVDNSA-N 0 1 199.294 1.995 20 0 ADADMN C[C@H](C1CC1)[N@@H+](C)CCCCC(=O)[O-] 36785912 572064419 /nfs/dbraw/zinc/06/44/19/572064419.db2.gz MUROGGQWDWYPGM-SECBINFHSA-N 0 1 199.294 1.972 20 0 ADADMN C/C(=C\C(=O)[O-])C[N@H+](C)[C@@H](C)C(C)C 82604481 572064830 /nfs/dbraw/zinc/06/48/30/572064830.db2.gz MGVMBRFOJSZVEG-ZKXNXJMVSA-N 0 1 199.294 1.994 20 0 ADADMN C[C@H](C1CC1)[N@@H+](C)CCCC(=O)[O-] 36785882 572064867 /nfs/dbraw/zinc/06/48/67/572064867.db2.gz JKAFZLAAODGVHA-MRVPVSSYSA-N 0 1 185.267 1.582 20 0 ADADMN C[C@@H](C1CC1)[N@@H+](C)CCCC(=O)[O-] 36785881 572065120 /nfs/dbraw/zinc/06/51/20/572065120.db2.gz JKAFZLAAODGVHA-QMMMGPOBSA-N 0 1 185.267 1.582 20 0 ADADMN CCC[N@@H+](C/C(C)=C/C(=O)[O-])C1CC1 82604411 572065309 /nfs/dbraw/zinc/06/53/09/572065309.db2.gz XAFDHWOQRMZERJ-VQHVLOKHSA-N 0 1 197.278 1.892 20 0 ADADMN CC[N@@H+](C/C(C)=C/C(=O)[O-])C1CC1 82604394 572065340 /nfs/dbraw/zinc/06/53/40/572065340.db2.gz PCIXKHOEWJSVBQ-SOFGYWHQSA-N 0 1 183.251 1.502 20 0 ADADMN C[C@@H](C[N@@H+](C)[C@@H](C)C1CC1)C(=O)[O-] 36785869 572065985 /nfs/dbraw/zinc/06/59/85/572065985.db2.gz DGIUZJBHGGXQOY-YUMQZZPRSA-N 0 1 185.267 1.437 20 0 ADADMN C[C@@H](C1CC1)[N@H+](C)C[C@@H](C)C(=O)[O-] 36785870 572066054 /nfs/dbraw/zinc/06/60/54/572066054.db2.gz DGIUZJBHGGXQOY-SFYZADRCSA-N 0 1 185.267 1.437 20 0 ADADMN C[C@@H](C1CC1)[N@@H+](C)CCCCC(=O)[O-] 36785910 572066884 /nfs/dbraw/zinc/06/68/84/572066884.db2.gz MUROGGQWDWYPGM-VIFPVBQESA-N 0 1 199.294 1.972 20 0 ADADMN CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1[C@@H](C)C[C@H]1C 1594875926 982210706 /nfs/dbraw/zinc/21/07/06/982210706.db2.gz JFWHSRNPSICIGH-AXTSPUMRSA-N 0 1 199.294 1.968 20 0 ADADMN CC[C@H](C)[C@@H](C(=O)[O-])[N@H+]1[C@@H](C)C[C@H]1C 1594875928 982211003 /nfs/dbraw/zinc/21/10/03/982211003.db2.gz JFWHSRNPSICIGH-QEYWKRMJSA-N 0 1 199.294 1.968 20 0 ADADMN CC[C@H]1CCCC[C@@H]1[N@@H+](C)CC(=O)[O-] 82657913 572070490 /nfs/dbraw/zinc/07/04/90/572070490.db2.gz KNPZEHDATOEWNQ-UWVGGRQHSA-N 0 1 199.294 1.972 20 0 ADADMN CC[C@@H]1CCCC[C@H]1[N@@H+](C)CC(=O)[O-] 82657914 572070649 /nfs/dbraw/zinc/07/06/49/572070649.db2.gz KNPZEHDATOEWNQ-NXEZZACHSA-N 0 1 199.294 1.972 20 0 ADADMN CC[C@@H]1CCCC[C@@H]1[N@@H+](C)CC(=O)[O-] 82657912 572070760 /nfs/dbraw/zinc/07/07/60/572070760.db2.gz KNPZEHDATOEWNQ-ZJUUUORDSA-N 0 1 199.294 1.972 20 0 ADADMN C[C@@H]1C[C@@H]1C[N@@H+](C)CCCC(=O)[O-] 82648927 572070859 /nfs/dbraw/zinc/07/08/59/572070859.db2.gz OUKWFENHAOIGCU-RKDXNWHRSA-N 0 1 185.267 1.439 20 0 ADADMN C[C@H]1C[C@H]1C[N@@H+](C)CCCC(=O)[O-] 82648930 572071127 /nfs/dbraw/zinc/07/11/27/572071127.db2.gz OUKWFENHAOIGCU-IUCAKERBSA-N 0 1 185.267 1.439 20 0 ADADMN CC(C)c1noc(CNCC2CC2)n1 36884553 572074484 /nfs/dbraw/zinc/07/44/84/572074484.db2.gz BIXRYSDJWIPLGK-UHFFFAOYSA-N 0 1 195.266 1.693 20 0 ADADMN CC(C)=CC[N@H+](CC(=O)[O-])CC1CC1 36885957 572074519 /nfs/dbraw/zinc/07/45/19/572074519.db2.gz UCAPQRKLXCWWPL-UHFFFAOYSA-N 0 1 197.278 1.749 20 0 ADADMN C(NCC1CC1)c1nc(C2CC2)no1 36884586 572074742 /nfs/dbraw/zinc/07/47/42/572074742.db2.gz RDYORERMGKRCLU-UHFFFAOYSA-N 0 1 193.250 1.447 20 0 ADADMN CC[C@H](C)[C@@H](C(=O)[O-])[N@@H+]1C[C@H]2C[C@H]2C1 1594877686 982219576 /nfs/dbraw/zinc/21/95/76/982219576.db2.gz RKYDYJOSEUQISD-QEYWKRMJSA-N 0 1 197.278 1.437 20 0 ADADMN CC[C@H](C)[C@H](C(=O)[O-])[N@@H+]1C[C@H]2C[C@H]2C1 1594877685 982219701 /nfs/dbraw/zinc/21/97/01/982219701.db2.gz RKYDYJOSEUQISD-AXTSPUMRSA-N 0 1 197.278 1.437 20 0 ADADMN CC[N@@H+](CCC(=O)[O-])Cc1ccoc1 82718063 572084510 /nfs/dbraw/zinc/08/45/10/572084510.db2.gz CJSWUPJJXJPKOP-UHFFFAOYSA-N 0 1 197.234 1.576 20 0 ADADMN CC[N@H+](CC(=O)[O-])Cc1ccoc1 82718061 572085408 /nfs/dbraw/zinc/08/54/08/572085408.db2.gz MRJUUMAPNUZSEV-UHFFFAOYSA-N 0 1 183.207 1.186 20 0 ADADMN CC[N@@H+](CC(=O)[O-])Cc1ccoc1 82718061 572085412 /nfs/dbraw/zinc/08/54/12/572085412.db2.gz MRJUUMAPNUZSEV-UHFFFAOYSA-N 0 1 183.207 1.186 20 0 ADADMN CCOC(=O)C[N@@H+](CC)C(C)C 37082503 572086376 /nfs/dbraw/zinc/08/63/76/572086376.db2.gz LRMVLNRATQMRDF-UHFFFAOYSA-N 0 1 173.256 1.280 20 0 ADADMN CCOC(=O)CN(CC)C(C)C 37082503 572086379 /nfs/dbraw/zinc/08/63/79/572086379.db2.gz LRMVLNRATQMRDF-UHFFFAOYSA-N 0 1 173.256 1.280 20 0 ADADMN CC[N@@H+](CCCC(=O)[O-])C(C)C 37082504 572086415 /nfs/dbraw/zinc/08/64/15/572086415.db2.gz ZFCHHTDNCYXPFV-UHFFFAOYSA-N 0 1 173.256 1.582 20 0 ADADMN CC[N@@H+](CCCCC(=O)[O-])C(C)C 37082500 572087372 /nfs/dbraw/zinc/08/73/72/572087372.db2.gz IJKDLUONIMQUJY-UHFFFAOYSA-N 0 1 187.283 1.972 20 0 ADADMN C[N@@H+](CCCCC(=O)[O-])C1CC1 37081341 572087585 /nfs/dbraw/zinc/08/75/85/572087585.db2.gz YKAIGZOZAWWAGD-UHFFFAOYSA-N 0 1 171.240 1.336 20 0 ADADMN CCC[N@@H+](CCCC(=O)[O-])C(C)C 37096412 572090088 /nfs/dbraw/zinc/09/00/88/572090088.db2.gz UOUSRQCJFXGWBC-UHFFFAOYSA-N 0 1 187.283 1.972 20 0 ADADMN CCC[N@@H+](C)CCCCC(=O)[O-] 37098634 572093606 /nfs/dbraw/zinc/09/36/06/572093606.db2.gz PYSRSRCGHDXVEE-UHFFFAOYSA-N 0 1 173.256 1.583 20 0 ADADMN CCC(C)(C)[N@@H+](C)CCC(=O)[O-] 69439943 572110274 /nfs/dbraw/zinc/11/02/74/572110274.db2.gz OYHKTHKHTCPFGM-UHFFFAOYSA-N 0 1 173.256 1.582 20 0 ADADMN CCC(C)(C)[N@@H+](C)CC(=O)[O-] 17712684 572113990 /nfs/dbraw/zinc/11/39/90/572113990.db2.gz YONVPSKTFBDOMY-UHFFFAOYSA-N 0 1 159.229 1.191 20 0 ADADMN C1=C[C@H](CNCc2csnn2)CC1 711765697 572115209 /nfs/dbraw/zinc/11/52/09/572115209.db2.gz FWZCKDMCQIPDEI-QMMMGPOBSA-N 0 1 195.291 1.594 20 0 ADADMN C1=C[C@@H](CNCc2csnn2)CC1 711765695 572116842 /nfs/dbraw/zinc/11/68/42/572116842.db2.gz FWZCKDMCQIPDEI-MRVPVSSYSA-N 0 1 195.291 1.594 20 0 ADADMN C[C@@H](CC1CC1)NCc1csnn1 69662441 572129326 /nfs/dbraw/zinc/12/93/26/572129326.db2.gz XZVQVZJQJABOGI-ZETCQYMHSA-N 0 1 197.307 1.816 20 0 ADADMN CC[C@]1(C(=O)[O-])CCC[N@H+]1CC(C)C 215187072 572129387 /nfs/dbraw/zinc/12/93/87/572129387.db2.gz RTBXHGKGTTZAFO-LLVKDONJSA-N 0 1 199.294 1.972 20 0 ADADMN CC[C@@]1(C(=O)[O-])CCC[N@H+]1CC(C)C 215187123 572130472 /nfs/dbraw/zinc/13/04/72/572130472.db2.gz RTBXHGKGTTZAFO-NSHDSACASA-N 0 1 199.294 1.972 20 0 ADADMN C[C@@H](CC1CC1)NCc1ncccn1 69666205 572131418 /nfs/dbraw/zinc/13/14/18/572131418.db2.gz PLDPCEZBCMFUBB-VIFPVBQESA-N 0 1 191.278 1.755 20 0 ADADMN C[C@H](CC1CC1)NCc1ncccn1 69666208 572132651 /nfs/dbraw/zinc/13/26/51/572132651.db2.gz PLDPCEZBCMFUBB-SECBINFHSA-N 0 1 191.278 1.755 20 0 ADADMN O=C([O-])C[N@@H+](C/C=C/Cl)C1CC1 37474663 572141940 /nfs/dbraw/zinc/14/19/40/572141940.db2.gz DJURQAKUSJYXGC-DAFODLJHSA-N 0 1 189.642 1.288 20 0 ADADMN C#CCC[N@@H+](CCC(=O)[O-])C(C)C 37474374 572142545 /nfs/dbraw/zinc/14/25/45/572142545.db2.gz TUHDQEKZINCJBB-UHFFFAOYSA-N 0 1 183.251 1.195 20 0 ADADMN C1=CCN(Cc2cccnc2)CC1 238881133 572154914 /nfs/dbraw/zinc/15/49/14/572154914.db2.gz PGYMXGWWCBTPAE-UHFFFAOYSA-N 0 1 174.247 1.844 20 0 ADADMN C1=CCN(Cc2ccccn2)CC1 238892041 572155486 /nfs/dbraw/zinc/15/54/86/572155486.db2.gz QRWDEPKBLOISQW-UHFFFAOYSA-N 0 1 174.247 1.844 20 0 ADADMN Fc1ccn2cncc2c1 18559859 572161842 /nfs/dbraw/zinc/16/18/42/572161842.db2.gz YQAGDQQQBUHRQH-UHFFFAOYSA-N 0 1 136.129 1.473 20 0 ADADMN CCNCc1nc(-c2ccoc2)no1 69946078 572162192 /nfs/dbraw/zinc/16/21/92/572162192.db2.gz UQDWKXHYCOETFK-UHFFFAOYSA-N 0 1 193.206 1.439 20 0 ADADMN C[C@@H]1CN(C/C=C\Cl)CC[C@@H]1O 379338967 572183987 /nfs/dbraw/zinc/18/39/87/572183987.db2.gz SZJJSZHILCZVFL-SJLHTBIVSA-N 0 1 189.686 1.442 20 0 ADADMN C[C@@H]1CN(C/C=C\Cl)CC[C@H]1O 379338966 572184352 /nfs/dbraw/zinc/18/43/52/572184352.db2.gz SZJJSZHILCZVFL-HWTYGCMBSA-N 0 1 189.686 1.442 20 0 ADADMN CCCc1nc2c(=O)ccccc2[nH]1 35874452 572187084 /nfs/dbraw/zinc/18/70/84/572187084.db2.gz XISRXWWPTFOXPO-UHFFFAOYSA-N 0 1 188.230 1.876 20 0 ADADMN Cc1ccnc(NC[C@H]2CCOC2)c1 43561564 572199783 /nfs/dbraw/zinc/19/97/83/572199783.db2.gz MPUULIZNHQVCGB-SNVBAGLBSA-N 0 1 192.262 1.838 20 0 ADADMN CCC(=O)[C@H](C)Sc1nnc(C)[nH]1 70234878 572203578 /nfs/dbraw/zinc/20/35/78/572203578.db2.gz YUNUUTRIKJEGBY-YFKPBYRVSA-N 0 1 199.279 1.573 20 0 ADADMN CCC(=O)[C@H](C)Sc1nc(C)n[nH]1 70234878 572203580 /nfs/dbraw/zinc/20/35/80/572203580.db2.gz YUNUUTRIKJEGBY-YFKPBYRVSA-N 0 1 199.279 1.573 20 0 ADADMN CCC(=O)[C@@H](C)Sc1nnc(C)[nH]1 70234877 572204522 /nfs/dbraw/zinc/20/45/22/572204522.db2.gz YUNUUTRIKJEGBY-RXMQYKEDSA-N 0 1 199.279 1.573 20 0 ADADMN CCC(=O)[C@@H](C)Sc1nc(C)n[nH]1 70234877 572204524 /nfs/dbraw/zinc/20/45/24/572204524.db2.gz YUNUUTRIKJEGBY-RXMQYKEDSA-N 0 1 199.279 1.573 20 0 ADADMN CC[C@@H](C)[C@@H](C)[N@@H+](C)CC(=O)[O-] 83403418 572209400 /nfs/dbraw/zinc/20/94/00/572209400.db2.gz NHVFVYIVJCVDJT-HTQZYQBOSA-N 0 1 173.256 1.437 20 0 ADADMN CC[C@@H](C)[C@H](C)[N@@H+](C)CC(=O)[O-] 83403420 572209616 /nfs/dbraw/zinc/20/96/16/572209616.db2.gz NHVFVYIVJCVDJT-SFYZADRCSA-N 0 1 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Cc1c[nH]nc1CN1C2CCC1CC2 685833621 487150730 /nfs/dbraw/zinc/15/07/30/487150730.db2.gz FRLXQNBDYGCDBQ-UHFFFAOYSA-N 0 1 191.278 1.845 20 0 ADADMN CN[C@@H](C)c1cn(C(C)C)nn1 306260787 487152790 /nfs/dbraw/zinc/15/27/90/487152790.db2.gz VMTTVJVPDPCUQP-ZETCQYMHSA-N 0 1 168.244 1.139 20 0 ADADMN CN[C@H](C)c1cn(C(C)C)nn1 306260786 487152849 /nfs/dbraw/zinc/15/28/49/487152849.db2.gz VMTTVJVPDPCUQP-SSDOTTSWSA-N 0 1 168.244 1.139 20 0 ADADMN Cc1nnsc1CN1CCCCC1 306439434 487156451 /nfs/dbraw/zinc/15/64/51/487156451.db2.gz NBPRWKPGCYOTMV-UHFFFAOYSA-N 0 1 197.307 1.832 20 0 ADADMN CC(=O)CN1CCCO[C@H](C(C)C)C1 306468598 487157467 /nfs/dbraw/zinc/15/74/67/487157467.db2.gz OBCZVBKFKFHIER-NSHDSACASA-N 0 1 199.294 1.322 20 0 ADADMN CC(=O)CN1CCCO[C@@H](C(C)C)C1 306468597 487157513 /nfs/dbraw/zinc/15/75/13/487157513.db2.gz OBCZVBKFKFHIER-LLVKDONJSA-N 0 1 199.294 1.322 20 0 ADADMN CC1(C[N@H+]2CC[C@@H](C(=O)[O-])C2)CCC1 306557002 487160491 /nfs/dbraw/zinc/16/04/91/487160491.db2.gz NBZSQBYLWIOMBA-SECBINFHSA-N 0 1 197.278 1.583 20 0 ADADMN CC1(C[N@H+]2CC[C@H](C(=O)[O-])C2)CCC1 306557003 487160556 /nfs/dbraw/zinc/16/05/56/487160556.db2.gz NBZSQBYLWIOMBA-VIFPVBQESA-N 0 1 197.278 1.583 20 0 ADADMN CC1(C)C[C@H](NCc2ncc[nH]2)CO1 306841950 487168010 /nfs/dbraw/zinc/16/80/10/487168010.db2.gz BYQMMIRQCCQCAK-QMMMGPOBSA-N 0 1 195.266 1.067 20 0 ADADMN CC1(C)C[C@@H](NCc2ncc[nH]2)CO1 306841949 487168140 /nfs/dbraw/zinc/16/81/40/487168140.db2.gz BYQMMIRQCCQCAK-MRVPVSSYSA-N 0 1 195.266 1.067 20 0 ADADMN O[C@@H]1CCCC[C@H]1NCc1cocn1 307095690 487173374 /nfs/dbraw/zinc/17/33/74/487173374.db2.gz COVLAFMRRUWONO-NXEZZACHSA-N 0 1 196.250 1.068 20 0 ADADMN COc1cc(CN2CCCC2)sn1 307176592 487175362 /nfs/dbraw/zinc/17/53/62/487175362.db2.gz HEZWZRLBLWRLIE-UHFFFAOYSA-N 0 1 198.291 1.748 20 0 ADADMN CN[C@H](C)c1cn(C(C)(C)C)nn1 307198274 487176111 /nfs/dbraw/zinc/17/61/11/487176111.db2.gz VBVZLJXKBMVDEE-SSDOTTSWSA-N 0 1 182.271 1.314 20 0 ADADMN CN[C@@H](C)c1cn(C(C)(C)C)nn1 307198275 487176124 /nfs/dbraw/zinc/17/61/24/487176124.db2.gz VBVZLJXKBMVDEE-ZETCQYMHSA-N 0 1 182.271 1.314 20 0 ADADMN CN[C@H](C)c1cn(C2CCCC2)nn1 307563844 487183800 /nfs/dbraw/zinc/18/38/00/487183800.db2.gz CTSSROUKKJDFEY-MRVPVSSYSA-N 0 1 194.282 1.674 20 0 ADADMN CN[C@@H](C)c1cn(C2CCCC2)nn1 307563845 487184016 /nfs/dbraw/zinc/18/40/16/487184016.db2.gz CTSSROUKKJDFEY-QMMMGPOBSA-N 0 1 194.282 1.674 20 0 ADADMN C/C=C(/C)c1nc([C@@H]2CCCN2)no1 307719378 487189538 /nfs/dbraw/zinc/18/95/38/487189538.db2.gz MYOPJIASWSURSO-PFPYCLJUSA-N 0 1 193.250 1.917 20 0 ADADMN C/C=C(/C)c1nc([C@H]2CCCN2)no1 307719377 487189759 /nfs/dbraw/zinc/18/97/59/487189759.db2.gz MYOPJIASWSURSO-LSFDQVSLSA-N 0 1 193.250 1.917 20 0 ADADMN CCCCn1cc([C@@H](C)NC)nn1 308141676 487194748 /nfs/dbraw/zinc/19/47/48/487194748.db2.gz LMYGVEHKOLODKV-MRVPVSSYSA-N 0 1 182.271 1.359 20 0 ADADMN CCCCn1cc([C@H](C)NC)nn1 308141678 487194971 /nfs/dbraw/zinc/19/49/71/487194971.db2.gz LMYGVEHKOLODKV-QMMMGPOBSA-N 0 1 182.271 1.359 20 0 ADADMN C[N@@H+](CCCCCF)CCC(=O)[O-] 308161739 487195374 /nfs/dbraw/zinc/19/53/74/487195374.db2.gz XDRCNEWUJHUIAC-UHFFFAOYSA-N 0 1 191.246 1.533 20 0 ADADMN Cc1cc([C@@H](C)NCCCF)no1 308226983 487197356 /nfs/dbraw/zinc/19/73/56/487197356.db2.gz FCHNMDALDGMLHM-MRVPVSSYSA-N 0 1 186.230 1.993 20 0 ADADMN Cc1cc([C@H](C)NCCCF)no1 308226984 487197361 /nfs/dbraw/zinc/19/73/61/487197361.db2.gz FCHNMDALDGMLHM-QMMMGPOBSA-N 0 1 186.230 1.993 20 0 ADADMN CCC(CC)(CCO)NCC(F)F 308240374 487197502 /nfs/dbraw/zinc/19/75/02/487197502.db2.gz SMAZYHOKXJQYMH-UHFFFAOYSA-N 0 1 195.253 1.782 20 0 ADADMN CCC(CC)CNCC(F)(F)CN 308352062 487199579 /nfs/dbraw/zinc/19/95/79/487199579.db2.gz YVPJXXHRQYEZQB-UHFFFAOYSA-N 0 1 194.269 1.606 20 0 ADADMN CC[C@@H](O)CN[C@H](C)c1cc(C)on1 308541697 487203581 /nfs/dbraw/zinc/20/35/81/487203581.db2.gz UVQBOIBSLNYERL-RKDXNWHRSA-N 0 1 198.266 1.405 20 0 ADADMN COCCCN[C@H](C)c1cc(C)on1 308569536 487204019 /nfs/dbraw/zinc/20/40/19/487204019.db2.gz BNFXBVAYUFXILO-SECBINFHSA-N 0 1 198.266 1.670 20 0 ADADMN COCCN[C@@H](C)c1cc(C)n(C)n1 308583769 487204692 /nfs/dbraw/zinc/20/46/92/487204692.db2.gz HOHFZEIPTOWCMF-VIFPVBQESA-N 0 1 197.282 1.026 20 0 ADADMN COCCN[C@H](C)c1cc(C)n(C)n1 308583768 487204800 /nfs/dbraw/zinc/20/48/00/487204800.db2.gz HOHFZEIPTOWCMF-SECBINFHSA-N 0 1 197.282 1.026 20 0 ADADMN Cc1cc([C@H](C)NC[C@@H](C)CO)no1 308654870 487206242 /nfs/dbraw/zinc/20/62/42/487206242.db2.gz NLRJLWYQUIDINO-APPZFPTMSA-N 0 1 198.266 1.262 20 0 ADADMN Cc1cc([C@H](C)NC[C@H](C)CO)no1 308654871 487206254 /nfs/dbraw/zinc/20/62/54/487206254.db2.gz NLRJLWYQUIDINO-CBAPKCEASA-N 0 1 198.266 1.262 20 0 ADADMN Cc1cc([C@@H](C)NC[C@H](C)CO)no1 308654872 487206187 /nfs/dbraw/zinc/20/61/87/487206187.db2.gz NLRJLWYQUIDINO-IONNQARKSA-N 0 1 198.266 1.262 20 0 ADADMN Cc1cc([C@H](C)N[C@@H](C)CCO)no1 308686801 487206672 /nfs/dbraw/zinc/20/66/72/487206672.db2.gz ZVBLHVNUIUTGCN-CBAPKCEASA-N 0 1 198.266 1.405 20 0 ADADMN Cc1cc([C@@H](C)N[C@H](C)CCO)no1 308686803 487206743 /nfs/dbraw/zinc/20/67/43/487206743.db2.gz ZVBLHVNUIUTGCN-VXNVDRBHSA-N 0 1 198.266 1.405 20 0 ADADMN Cc1cc([C@@H](C)NC[C@@H](C)CO)no1 308654873 487206873 /nfs/dbraw/zinc/20/68/73/487206873.db2.gz NLRJLWYQUIDINO-VXNVDRBHSA-N 0 1 198.266 1.262 20 0 ADADMN Cc1cc([C@@H](C)N[C@@H](C)CCO)no1 308686802 487207053 /nfs/dbraw/zinc/20/70/53/487207053.db2.gz ZVBLHVNUIUTGCN-IONNQARKSA-N 0 1 198.266 1.405 20 0 ADADMN Cc1cc([C@H](C)N[C@H](C)CCO)no1 308686800 487207117 /nfs/dbraw/zinc/20/71/17/487207117.db2.gz ZVBLHVNUIUTGCN-APPZFPTMSA-N 0 1 198.266 1.405 20 0 ADADMN Cc1cc([C@@H](C)NCC(C)(C)O)no1 308714619 487207866 /nfs/dbraw/zinc/20/78/66/487207866.db2.gz ASAXKKRAYFSCSO-MRVPVSSYSA-N 0 1 198.266 1.405 20 0 ADADMN CC[C@H](O)CN[C@H](C)c1cc(C)on1 308751936 487208499 /nfs/dbraw/zinc/20/84/99/487208499.db2.gz UVQBOIBSLNYERL-BDAKNGLRSA-N 0 1 198.266 1.405 20 0 ADADMN CC[C@](C)(CNCc1ncc[nH]1)OC 322660358 487222187 /nfs/dbraw/zinc/22/21/87/487222187.db2.gz AJNGPBSQRLHQRZ-SNVBAGLBSA-N 0 1 197.282 1.314 20 0 ADADMN CC[C@@](C)(CNCc1ncc[nH]1)OC 322660354 487222221 /nfs/dbraw/zinc/22/22/21/487222221.db2.gz AJNGPBSQRLHQRZ-JTQLQIEISA-N 0 1 197.282 1.314 20 0 ADADMN CC[C@@](C)(CNCc1cc[nH]n1)OC 323078919 487223563 /nfs/dbraw/zinc/22/35/63/487223563.db2.gz YIEXPVKPZFPIKN-JTQLQIEISA-N 0 1 197.282 1.314 20 0 ADADMN CC[C@](C)(CNCc1cc[nH]n1)OC 323078922 487223725 /nfs/dbraw/zinc/22/37/25/487223725.db2.gz YIEXPVKPZFPIKN-SNVBAGLBSA-N 0 1 197.282 1.314 20 0 ADADMN CC[C@@H](NCc1ncccn1)C1CC1 323665417 487224390 /nfs/dbraw/zinc/22/43/90/487224390.db2.gz AXFJPPHEDLOCCO-SNVBAGLBSA-N 0 1 191.278 1.755 20 0 ADADMN CC[C@@H](NCc1csnn1)C1CC1 324119619 487224438 /nfs/dbraw/zinc/22/44/38/487224438.db2.gz GMWIPASYXKOAEE-SECBINFHSA-N 0 1 197.307 1.816 20 0 ADADMN CC[C@@H](NCc1nnc(C)o1)C1CC1 323740518 487224577 /nfs/dbraw/zinc/22/45/77/487224577.db2.gz QBEXNVPVGQDFSW-SECBINFHSA-N 0 1 195.266 1.656 20 0 ADADMN CC[C@H](NCc1csnn1)C1CC1 324119622 487224648 /nfs/dbraw/zinc/22/46/48/487224648.db2.gz GMWIPASYXKOAEE-VIFPVBQESA-N 0 1 197.307 1.816 20 0 ADADMN CC[C@H](NCc1nnc(C)o1)C1CC1 323740519 487224681 /nfs/dbraw/zinc/22/46/81/487224681.db2.gz QBEXNVPVGQDFSW-VIFPVBQESA-N 0 1 195.266 1.656 20 0 ADADMN CC[C@H](NCc1ncccn1)C1CC1 323665416 487224711 /nfs/dbraw/zinc/22/47/11/487224711.db2.gz AXFJPPHEDLOCCO-JTQLQIEISA-N 0 1 191.278 1.755 20 0 ADADMN Cc1occc1CN1CCCOCC1 334841100 487229295 /nfs/dbraw/zinc/22/92/95/487229295.db2.gz LSRKZWGQRGVJOU-UHFFFAOYSA-N 0 1 195.262 1.810 20 0 ADADMN C[C@@H]1C[C@H](Sc2cn[nH]n2)CCO1 335052737 487229568 /nfs/dbraw/zinc/22/95/68/487229568.db2.gz HNKDMWJEBDXCBX-RNFRBKRXSA-N 0 1 199.279 1.464 20 0 ADADMN CN(C(=O)Cc1ccn[nH]1)C(C)(C)C 335522000 487231118 /nfs/dbraw/zinc/23/11/18/487231118.db2.gz PKDNCQALWZWPQJ-UHFFFAOYSA-N 0 1 195.266 1.209 20 0 ADADMN CCc1nocc1CN[C@H]1CCOC1 378666619 487233732 /nfs/dbraw/zinc/23/37/32/487233732.db2.gz GUEPLPXBAIMMDS-VIFPVBQESA-N 0 1 196.250 1.116 20 0 ADADMN CCc1nocc1CN[C@@H]1CCOC1 378666616 487233771 /nfs/dbraw/zinc/23/37/71/487233771.db2.gz GUEPLPXBAIMMDS-SECBINFHSA-N 0 1 196.250 1.116 20 0 ADADMN CCOCC(C)(C)NCc1ccno1 378674448 487234392 /nfs/dbraw/zinc/23/43/92/487234392.db2.gz NMKUWVPJMUQQGT-UHFFFAOYSA-N 0 1 198.266 1.579 20 0 ADADMN CCOCCNCc1conc1CC 378681733 487234517 /nfs/dbraw/zinc/23/45/17/487234517.db2.gz XDPWQXVTHMYRJV-UHFFFAOYSA-N 0 1 198.266 1.363 20 0 ADADMN CCOCC(C)(C)NCc1cc[nH]n1 378674862 487234610 /nfs/dbraw/zinc/23/46/10/487234610.db2.gz NYZYPRGGTACZLB-UHFFFAOYSA-N 0 1 197.282 1.314 20 0 ADADMN C[C@H]1COCCN1CCCCF 379311645 487237338 /nfs/dbraw/zinc/23/73/38/487237338.db2.gz OYUCYDNPDLIVGW-VIFPVBQESA-N 0 1 175.247 1.457 20 0 ADADMN CC[N@@H+](CCCCF)CC(=O)[O-] 379314911 487237343 /nfs/dbraw/zinc/23/73/43/487237343.db2.gz QLXYNXYANYOLMX-UHFFFAOYSA-N 0 1 177.219 1.143 20 0 ADADMN C[N@@H+](CC(=O)[O-])CC1(C)CCC1 379321012 487237423 /nfs/dbraw/zinc/23/74/23/487237423.db2.gz ZKFUNVVCLAESNM-UHFFFAOYSA-N 0 1 171.240 1.193 20 0 ADADMN CCCCN1C(=O)N=NC1SC 379331056 487238508 /nfs/dbraw/zinc/23/85/08/487238508.db2.gz ZOHCOWTXNWEUQY-UHFFFAOYSA-N 0 1 187.268 1.506 20 0 ADADMN CN[C@@H](C)c1cn(CC(C)C)nn1 379349700 487238851 /nfs/dbraw/zinc/23/88/51/487238851.db2.gz QAHOOQIFGBAVKW-QMMMGPOBSA-N 0 1 182.271 1.215 20 0 ADADMN O=C([O-])C[N@@H+](CCCCF)C1CC1 379351589 487238860 /nfs/dbraw/zinc/23/88/60/487238860.db2.gz XQNRAZXGKWETOL-UHFFFAOYSA-N 0 1 189.230 1.285 20 0 ADADMN CC[C@@H](C)[N@H+](C)Cc1nnc(C)[nH]1 379352195 487239226 /nfs/dbraw/zinc/23/92/26/487239226.db2.gz AQZKRYVLZJBVJC-SSDOTTSWSA-N 0 1 182.271 1.343 20 0 ADADMN CC[C@H](C)[N@H+](C)Cc1nnc(C)[nH]1 379352196 487239276 /nfs/dbraw/zinc/23/92/76/487239276.db2.gz AQZKRYVLZJBVJC-ZETCQYMHSA-N 0 1 182.271 1.343 20 0 ADADMN CN[C@H](C)c1cn(CC(C)C)nn1 379349699 487239316 /nfs/dbraw/zinc/23/93/16/487239316.db2.gz QAHOOQIFGBAVKW-MRVPVSSYSA-N 0 1 182.271 1.215 20 0 ADADMN CCC(C)(C)NC(=O)[C@@H](C)N(C)C 379370559 487240574 /nfs/dbraw/zinc/24/05/74/487240574.db2.gz RSZJPKJGEBMYOC-MRVPVSSYSA-N 0 1 186.299 1.241 20 0 ADADMN COCCSc1nc(C2CC2)n[nH]1 379399563 487242758 /nfs/dbraw/zinc/24/27/58/487242758.db2.gz HFZXOGQRZGCGMR-UHFFFAOYSA-N 0 1 199.279 1.421 20 0 ADADMN COCCSc1n[nH]c(C2CC2)n1 379399563 487242762 /nfs/dbraw/zinc/24/27/62/487242762.db2.gz HFZXOGQRZGCGMR-UHFFFAOYSA-N 0 1 199.279 1.421 20 0 ADADMN C[N@@H+](CCC(=O)[O-])CC1(C)CCC1 379404018 487243999 /nfs/dbraw/zinc/24/39/99/487243999.db2.gz QPLFZHHCJQLFBG-UHFFFAOYSA-N 0 1 185.267 1.583 20 0 ADADMN COCCCN[C@@H](C)c1cc(C)on1 379565167 487245201 /nfs/dbraw/zinc/24/52/01/487245201.db2.gz BNFXBVAYUFXILO-VIFPVBQESA-N 0 1 198.266 1.670 20 0 ADADMN C[N@@H+](CCC1CC1)[C@H](C(=O)[O-])C1CC1 379586439 487245820 /nfs/dbraw/zinc/24/58/20/487245820.db2.gz QXRWFHGAGKMKEG-JTQLQIEISA-N 0 1 197.278 1.582 20 0 ADADMN CCC[C@@H](C(=O)[O-])[N@@H+](C)CCC1CC1 379608455 487246209 /nfs/dbraw/zinc/24/62/09/487246209.db2.gz RREDHQFXINIELC-JTQLQIEISA-N 0 1 199.294 1.972 20 0 ADADMN C[N@@H+](CCC1CC1)[C@@H](C(=O)[O-])C1CC1 379586440 487246371 /nfs/dbraw/zinc/24/63/71/487246371.db2.gz QXRWFHGAGKMKEG-SNVBAGLBSA-N 0 1 197.278 1.582 20 0 ADADMN CC[C@H](O)CN[C@@H](C)c1cc(C)on1 379589054 487246394 /nfs/dbraw/zinc/24/63/94/487246394.db2.gz UVQBOIBSLNYERL-IUCAKERBSA-N 0 1 198.266 1.405 20 0 ADADMN CC[C@@H](O)CN[C@@H](C)c1cc(C)on1 379611833 487246408 /nfs/dbraw/zinc/24/64/08/487246408.db2.gz UVQBOIBSLNYERL-DTWKUNHWSA-N 0 1 198.266 1.405 20 0 ADADMN CCC[C@H](C(=O)[O-])[N@@H+](C)CCC1CC1 379608456 487246507 /nfs/dbraw/zinc/24/65/07/487246507.db2.gz RREDHQFXINIELC-SNVBAGLBSA-N 0 1 199.294 1.972 20 0 ADADMN Cc1cc([C@H](C)NCC(C)(C)O)no1 379617956 487246518 /nfs/dbraw/zinc/24/65/18/487246518.db2.gz ASAXKKRAYFSCSO-QMMMGPOBSA-N 0 1 198.266 1.405 20 0 ADADMN CCC[N@@H+](CC(=O)[O-])CC1(C)CCC1 379630473 487247112 /nfs/dbraw/zinc/24/71/12/487247112.db2.gz MVIKGFDUMNTZBY-UHFFFAOYSA-N 0 1 199.294 1.973 20 0 ADADMN CC1(C[N@@H+](CC(=O)[O-])C2CC2)CCC1 379660477 487247248 /nfs/dbraw/zinc/24/72/48/487247248.db2.gz PGSNOQOWMQAVKM-UHFFFAOYSA-N 0 1 197.278 1.726 20 0 ADADMN CCCC[C@@H](C(=O)[O-])[N@@H+]1CC=CCC1 382492991 487250462 /nfs/dbraw/zinc/25/04/62/487250462.db2.gz GRZYTLAIBIUZAU-JTQLQIEISA-N 0 1 197.278 1.892 20 0 ADADMN CCC[C@@H](C(=O)[O-])[N@@H+]1CC=C(C)CC1 382494486 487250673 /nfs/dbraw/zinc/25/06/73/487250673.db2.gz IATGAVXZZFIYCK-JTQLQIEISA-N 0 1 197.278 1.892 20 0 ADADMN CCCC[C@H](C(=O)[O-])[N@@H+]1CC=CCC1 382492995 487250694 /nfs/dbraw/zinc/25/06/94/487250694.db2.gz GRZYTLAIBIUZAU-SNVBAGLBSA-N 0 1 197.278 1.892 20 0 ADADMN CCC[C@@H](C(=O)[O-])[N@@H+]1CC=CCC1 382484407 487250902 /nfs/dbraw/zinc/25/09/02/487250902.db2.gz SIVVVDMSGQLHSQ-VIFPVBQESA-N 0 1 183.251 1.502 20 0 ADADMN CCC[C@H](C(=O)[O-])[N@@H+]1CC=CCC1 382484406 487250908 /nfs/dbraw/zinc/25/09/08/487250908.db2.gz SIVVVDMSGQLHSQ-SECBINFHSA-N 0 1 183.251 1.502 20 0 ADADMN O=C([O-])CCCCC[N@@H+]1CC=CCC1 382499906 487250965 /nfs/dbraw/zinc/25/09/65/487250965.db2.gz OMYHIICTXLRSHA-UHFFFAOYSA-N 0 1 197.278 1.893 20 0 ADADMN CCC[C@H](C(=O)[O-])[N@@H+]1CC=C(C)CC1 382494487 487250928 /nfs/dbraw/zinc/25/09/28/487250928.db2.gz IATGAVXZZFIYCK-SNVBAGLBSA-N 0 1 197.278 1.892 20 0 ADADMN CCOC1CN(CC2(O)CCCC2)C1 383118891 487252000 /nfs/dbraw/zinc/25/20/00/487252000.db2.gz WONPGNKMSCDWTH-UHFFFAOYSA-N 0 1 199.294 1.012 20 0 ADADMN CC/C=C\CN[C@H]1CCn2ccnc21 384773211 487253285 /nfs/dbraw/zinc/25/32/85/487253285.db2.gz SEQXXJYOVSHBDV-XOULXFPDSA-N 0 1 191.278 1.884 20 0 ADADMN CC/C=C/CN[C@@H]1CCn2ccnc21 384773208 487253308 /nfs/dbraw/zinc/25/33/08/487253308.db2.gz SEQXXJYOVSHBDV-HMDXOVGESA-N 0 1 191.278 1.884 20 0 ADADMN CC/C=C\CN[C@@H]1CCn2ccnc21 384773210 487253436 /nfs/dbraw/zinc/25/34/36/487253436.db2.gz SEQXXJYOVSHBDV-UMBAGQNISA-N 0 1 191.278 1.884 20 0 ADADMN CC/C=C/CN[C@H]1CCn2ccnc21 384773205 487253447 /nfs/dbraw/zinc/25/34/47/487253447.db2.gz SEQXXJYOVSHBDV-FSIBCCDJSA-N 0 1 191.278 1.884 20 0 ADADMN CC(C)C[C@@H]1C[C@H]1NCc1cc[nH]n1 385844764 487255728 /nfs/dbraw/zinc/25/57/28/487255728.db2.gz OMBNUXJIFYWPJX-MWLCHTKSSA-N 0 1 193.294 1.934 20 0 ADADMN CC(C)C[C@@H]1C[C@H]1NCc1ncc[nH]1 385797415 487255891 /nfs/dbraw/zinc/25/58/91/487255891.db2.gz GCHPOIXYCXVZNP-NXEZZACHSA-N 0 1 193.294 1.934 20 0 ADADMN C[N@@H+](CCCCCF)CC(=O)[O-] 388451258 487259758 /nfs/dbraw/zinc/25/97/58/487259758.db2.gz YQHDLDCKBKTVIC-UHFFFAOYSA-N 0 1 177.219 1.143 20 0 ADADMN CCc1nc(S[C@H](C)C(C)=O)n[nH]1 388623687 487260361 /nfs/dbraw/zinc/26/03/61/487260361.db2.gz IAQBKWALBWEZGA-ZCFIWIBFSA-N 0 1 199.279 1.437 20 0 ADADMN CCc1n[nH]c(S[C@H](C)C(C)=O)n1 388623687 487260365 /nfs/dbraw/zinc/26/03/65/487260365.db2.gz IAQBKWALBWEZGA-ZCFIWIBFSA-N 0 1 199.279 1.437 20 0 ADADMN CCc1nc(S[C@@H](C)C(C)=O)n[nH]1 388623685 487260573 /nfs/dbraw/zinc/26/05/73/487260573.db2.gz IAQBKWALBWEZGA-LURJTMIESA-N 0 1 199.279 1.437 20 0 ADADMN CCc1n[nH]c(S[C@@H](C)C(C)=O)n1 388623685 487260577 /nfs/dbraw/zinc/26/05/77/487260577.db2.gz IAQBKWALBWEZGA-LURJTMIESA-N 0 1 199.279 1.437 20 0 ADADMN C[N@@H+](CC(=O)[O-])[C@@H]1C=CCCCCC1 388653481 487260688 /nfs/dbraw/zinc/26/06/88/487260688.db2.gz AQWYTIVAGZUJMZ-SNVBAGLBSA-N 0 1 197.278 1.892 20 0 ADADMN C[N@@H+](CC(=O)[O-])[C@H]1C=CCCCCC1 388653478 487260713 /nfs/dbraw/zinc/26/07/13/487260713.db2.gz AQWYTIVAGZUJMZ-JTQLQIEISA-N 0 1 197.278 1.892 20 0 ADADMN CC[N@@H+](CCCCCF)CC(=O)[O-] 388736719 487261397 /nfs/dbraw/zinc/26/13/97/487261397.db2.gz WSRVUMHMPPEYHU-UHFFFAOYSA-N 0 1 191.246 1.533 20 0 ADADMN CC[N@@H+](CCCCF)CCC(=O)[O-] 388742792 487261562 /nfs/dbraw/zinc/26/15/62/487261562.db2.gz YGGIKSSQCMDXCZ-UHFFFAOYSA-N 0 1 191.246 1.533 20 0 ADADMN CN[C@H](C)c1cn(CCC(C)C)nn1 389213382 487262821 /nfs/dbraw/zinc/26/28/21/487262821.db2.gz JLXXTRJLEPPRIK-SECBINFHSA-N 0 1 196.298 1.605 20 0 ADADMN CN[C@@H](C)c1cn(CCC(C)C)nn1 389213390 487263206 /nfs/dbraw/zinc/26/32/06/487263206.db2.gz JLXXTRJLEPPRIK-VIFPVBQESA-N 0 1 196.298 1.605 20 0 ADADMN C[N@@H+](CCCCC(=O)[O-])CCC1CC1 389336168 487264257 /nfs/dbraw/zinc/26/42/57/487264257.db2.gz WOXIOOZTSLSYCD-UHFFFAOYSA-N 0 1 199.294 1.973 20 0 ADADMN CC[C@@H](CO)N(C)Cc1cc(C)no1 393301179 487265377 /nfs/dbraw/zinc/26/53/77/487265377.db2.gz UIEZPZLYTMSWFO-VIFPVBQESA-N 0 1 198.266 1.186 20 0 ADADMN CC[C@H](CO)N(C)Cc1cc(C)no1 393301174 487265491 /nfs/dbraw/zinc/26/54/91/487265491.db2.gz UIEZPZLYTMSWFO-SECBINFHSA-N 0 1 198.266 1.186 20 0 ADADMN CCc1nnc(SCCOC)[nH]1 393321310 487266324 /nfs/dbraw/zinc/26/63/24/487266324.db2.gz GRBAHJOYSAPGGZ-UHFFFAOYSA-N 0 1 187.268 1.106 20 0 ADADMN CCc1n[nH]c(SCCOC)n1 393321310 487266326 /nfs/dbraw/zinc/26/63/26/487266326.db2.gz GRBAHJOYSAPGGZ-UHFFFAOYSA-N 0 1 187.268 1.106 20 0 ADADMN CC(C)OC[C@@H](C)NCc1cc[nH]n1 393660675 487267955 /nfs/dbraw/zinc/26/79/55/487267955.db2.gz STNKRICHOPEQNM-SECBINFHSA-N 0 1 197.282 1.313 20 0 ADADMN CC(C)OC[C@H](C)NCc1cc[nH]n1 393660678 487268443 /nfs/dbraw/zinc/26/84/43/487268443.db2.gz STNKRICHOPEQNM-VIFPVBQESA-N 0 1 197.282 1.313 20 0 ADADMN C[C@H]1CCCC[C@H]1C[N@@H+](C)CC(=O)[O-] 394883432 487271459 /nfs/dbraw/zinc/27/14/59/487271459.db2.gz NDITWRVYSWDQKU-UWVGGRQHSA-N 0 1 199.294 1.829 20 0 ADADMN C[C@@H]1CCCC[C@H]1C[N@@H+](C)CC(=O)[O-] 394883434 487271537 /nfs/dbraw/zinc/27/15/37/487271537.db2.gz NDITWRVYSWDQKU-ZJUUUORDSA-N 0 1 199.294 1.829 20 0 ADADMN C[C@H]1CCCC[C@@H]1C[N@@H+](C)CC(=O)[O-] 394883433 487271568 /nfs/dbraw/zinc/27/15/68/487271568.db2.gz NDITWRVYSWDQKU-VHSXEESVSA-N 0 1 199.294 1.829 20 0 ADADMN C[C@@H]1CCCC[C@@H]1C[N@@H+](C)CC(=O)[O-] 394883431 487271677 /nfs/dbraw/zinc/27/16/77/487271677.db2.gz NDITWRVYSWDQKU-NXEZZACHSA-N 0 1 199.294 1.829 20 0 ADADMN CO[C@H](C)CN[C@@H](C)c1ccncn1 395883178 487273636 /nfs/dbraw/zinc/27/36/36/487273636.db2.gz CQGWZOGYJPARPB-BDAKNGLRSA-N 0 1 195.266 1.162 20 0 ADADMN CO[C@@H](C)CN[C@@H](C)c1ccncn1 395883182 487273731 /nfs/dbraw/zinc/27/37/31/487273731.db2.gz CQGWZOGYJPARPB-IUCAKERBSA-N 0 1 195.266 1.162 20 0 ADADMN CO[C@H](C)CN[C@H](C)c1ccncn1 395883184 487273990 /nfs/dbraw/zinc/27/39/90/487273990.db2.gz CQGWZOGYJPARPB-RKDXNWHRSA-N 0 1 195.266 1.162 20 0 ADADMN CO[C@@H](C)CN[C@H](C)c1ccncn1 395883179 487274101 /nfs/dbraw/zinc/27/41/01/487274101.db2.gz CQGWZOGYJPARPB-DTWKUNHWSA-N 0 1 195.266 1.162 20 0 ADADMN C[C@@H](NCCC1CC1)c1csnn1 398329282 487283824 /nfs/dbraw/zinc/28/38/24/487283824.db2.gz KLGAQRZCRVSCIY-SSDOTTSWSA-N 0 1 197.307 1.989 20 0 ADADMN C[C@@H](NCC1CCC1)c1csnn1 398352554 487283844 /nfs/dbraw/zinc/28/38/44/487283844.db2.gz YCXDZKXFWLVDCF-SSDOTTSWSA-N 0 1 197.307 1.989 20 0 ADADMN C[C@H](NCCC1CC1)c1csnn1 398329283 487284112 /nfs/dbraw/zinc/28/41/12/487284112.db2.gz KLGAQRZCRVSCIY-ZETCQYMHSA-N 0 1 197.307 1.989 20 0 ADADMN C[C@H](NCC1CCC1)c1csnn1 398352555 487284204 /nfs/dbraw/zinc/28/42/04/487284204.db2.gz YCXDZKXFWLVDCF-ZETCQYMHSA-N 0 1 197.307 1.989 20 0 ADADMN CC(C)CN[C@H](C)c1csnn1 398384354 487284351 /nfs/dbraw/zinc/28/43/51/487284351.db2.gz OLDKGSBMESZERD-SSDOTTSWSA-N 0 1 185.296 1.845 20 0 ADADMN CC(C)CN[C@@H](C)c1csnn1 398384358 487284424 /nfs/dbraw/zinc/28/44/24/487284424.db2.gz OLDKGSBMESZERD-ZETCQYMHSA-N 0 1 185.296 1.845 20 0 ADADMN CC[C@H](C)N[C@H](C)c1csnn1 398407272 487284726 /nfs/dbraw/zinc/28/47/26/487284726.db2.gz ZVKNLYYVGHBZOE-NKWVEPMBSA-N 0 1 185.296 1.987 20 0 ADADMN CC[C@H](C)N[C@@H](C)c1csnn1 398407269 487284736 /nfs/dbraw/zinc/28/47/36/487284736.db2.gz ZVKNLYYVGHBZOE-BQBZGAKWSA-N 0 1 185.296 1.987 20 0 ADADMN CC[C@@H](C)N[C@H](C)c1csnn1 398407275 487284748 /nfs/dbraw/zinc/28/47/48/487284748.db2.gz ZVKNLYYVGHBZOE-RNFRBKRXSA-N 0 1 185.296 1.987 20 0 ADADMN C[C@H](N[C@@H](C)C1CC1)c1csnn1 398405171 487284872 /nfs/dbraw/zinc/28/48/72/487284872.db2.gz YTJBINAMZVRJKE-BQBZGAKWSA-N 0 1 197.307 1.987 20 0 ADADMN C[C@H](N[C@H](C)c1csnn1)C1CC1 398405172 487285064 /nfs/dbraw/zinc/28/50/64/487285064.db2.gz YTJBINAMZVRJKE-NKWVEPMBSA-N 0 1 197.307 1.987 20 0 ADADMN CC[C@@H](C)N[C@@H](C)c1csnn1 398407277 487285112 /nfs/dbraw/zinc/28/51/12/487285112.db2.gz ZVKNLYYVGHBZOE-RQJHMYQMSA-N 0 1 185.296 1.987 20 0 ADADMN C[C@H](N[C@H](C)C1CC1)c1csnn1 398405174 487285116 /nfs/dbraw/zinc/28/51/16/487285116.db2.gz YTJBINAMZVRJKE-RQJHMYQMSA-N 0 1 197.307 1.987 20 0 ADADMN CCCCN[C@H](C)c1csnn1 398393227 487285185 /nfs/dbraw/zinc/28/51/85/487285185.db2.gz RSJFLXMFVBFJCM-SSDOTTSWSA-N 0 1 185.296 1.989 20 0 ADADMN C[C@@H](N[C@H](C)C1CC1)c1csnn1 398405173 487285259 /nfs/dbraw/zinc/28/52/59/487285259.db2.gz YTJBINAMZVRJKE-RNFRBKRXSA-N 0 1 197.307 1.987 20 0 ADADMN CCCCN[C@@H](C)c1csnn1 398393228 487285277 /nfs/dbraw/zinc/28/52/77/487285277.db2.gz RSJFLXMFVBFJCM-ZETCQYMHSA-N 0 1 185.296 1.989 20 0 ADADMN O=C([O-])[C@H]1CCC[N@H+]1CCC1CCC1 398771778 487285753 /nfs/dbraw/zinc/28/57/53/487285753.db2.gz IZUBDRRSGWHLFG-SNVBAGLBSA-N 0 1 197.278 1.726 20 0 ADADMN CC[N@H+](CCC(=O)[O-])CCC1CCC1 398794391 487285941 /nfs/dbraw/zinc/28/59/41/487285941.db2.gz QWGMXXVISHIYCS-UHFFFAOYSA-N 0 1 199.294 1.973 20 0 ADADMN O=C([O-])[C@@H]1CC[N@@H+](CCC2CCC2)C1 398799190 487285987 /nfs/dbraw/zinc/28/59/87/487285987.db2.gz SPOSAWPUEIMXPV-SNVBAGLBSA-N 0 1 197.278 1.583 20 0 ADADMN CC[C@H](C(=O)[O-])[N@@H+](C)CCC1CCC1 398810465 487286142 /nfs/dbraw/zinc/28/61/42/487286142.db2.gz XQEZDJNJMJUCOW-SNVBAGLBSA-N 0 1 199.294 1.972 20 0 ADADMN O=C([O-])[C@H]1CC[N@@H+](CCC2CCC2)C1 398799189 487286260 /nfs/dbraw/zinc/28/62/60/487286260.db2.gz SPOSAWPUEIMXPV-JTQLQIEISA-N 0 1 197.278 1.583 20 0 ADADMN CCC[N@@H+](CCC1CCC1)CC(=O)[O-] 398797081 487286185 /nfs/dbraw/zinc/28/61/85/487286185.db2.gz SBGOCEWRVIEPGX-UHFFFAOYSA-N 0 1 199.294 1.973 20 0 ADADMN O=C([O-])[C@@H]1CCC[N@H+]1CCC1CCC1 398771773 487286231 /nfs/dbraw/zinc/28/62/31/487286231.db2.gz IZUBDRRSGWHLFG-JTQLQIEISA-N 0 1 197.278 1.726 20 0 ADADMN CC[N@@H+](CCC1CCC1)CC(=O)[O-] 398784299 487286251 /nfs/dbraw/zinc/28/62/51/487286251.db2.gz NFYDNXNDIRNPJK-UHFFFAOYSA-N 0 1 185.267 1.583 20 0 ADADMN CC(C)[N@@H+](CCC1CCC1)CC(=O)[O-] 398646953 487286354 /nfs/dbraw/zinc/28/63/54/487286354.db2.gz AFLNBTYLWCERFE-UHFFFAOYSA-N 0 1 199.294 1.972 20 0 ADADMN O=C([O-])C[N@@H+](CCC1CCC1)C1CC1 398812017 487286410 /nfs/dbraw/zinc/28/64/10/487286410.db2.gz YJUZFCJUDZGSIU-UHFFFAOYSA-N 0 1 197.278 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