smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1CC[C@H](NCC#CC[NH2+][C@H]2CCC(=O)NC23CCC3)C2(CCC2)N1 ZINC000366968729 489201315 /nfs/dbraw/zinc/20/13/15/489201315.db2.gz GUQLJLCRXNCVGU-HOTGVXAUSA-N 1 3 358.486 0.572 10 30 FCEEHO C=CCN1CCC(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)CC1 ZINC000581901115 491789852 /nfs/dbraw/zinc/78/98/52/491789852.db2.gz FTHWYBQBQJELJX-RDJZCZTQSA-N 1 3 350.507 0.942 10 30 FCEEHO C=CCN1CCC(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](CC)C[C@@H]2C)CC1 ZINC000581901115 491789854 /nfs/dbraw/zinc/78/98/54/491789854.db2.gz FTHWYBQBQJELJX-RDJZCZTQSA-N 1 3 350.507 0.942 10 30 FCEEHO C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1ccc2c(c1)OCCNC2 ZINC000599877228 492212958 /nfs/dbraw/zinc/21/29/58/492212958.db2.gz YAGCPLVRLZFCFF-UHFFFAOYSA-N 1 3 373.457 0.801 10 30 FCEEHO C[NH+]=C(NCC1(N2CCCC2)CCOCC1)N[C@@H]1CCc2ncnn2C1 ZINC000262753220 526350587 /nfs/dbraw/zinc/35/05/87/526350587.db2.gz AJYYVRIBFZOUNO-OAHLLOKOSA-N 1 3 361.494 0.403 10 30 FCEEHO C[NH+]=C(NC[C@@H]1CCN(S(C)(=O)=O)C1)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000262017148 526371068 /nfs/dbraw/zinc/37/10/68/526371068.db2.gz XYCWLVXKJDRTEG-SOUVJXGZSA-N 1 3 359.540 0.162 10 30 FCEEHO C[NH+]=C(NC[C@H]1CCCN1S(C)(=O)=O)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000262002895 526377772 /nfs/dbraw/zinc/37/77/72/526377772.db2.gz UWRCCRHRAJCDGQ-RRFJBIMHSA-N 1 3 359.540 0.304 10 30 FCEEHO CC[NH+]=C(NCCN1CCCN(C)CC1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261960357 528805275 /nfs/dbraw/zinc/80/52/75/528805275.db2.gz JZEOYCAUAMMGKP-UHFFFAOYSA-N 1 3 373.567 0.098 10 30 FCEEHO C#CCN(C(=O)C(=O)NC[C@]1(N(C)C)CCSC1)C1CC[NH+](C)CC1 ZINC000929464161 673957354 /nfs/dbraw/zinc/95/73/54/673957354.db2.gz BXCNRHUDINKSRD-GOSISDBHSA-N 1 3 366.531 0.096 10 30 FCEEHO C#CCN1CCC(C(=O)N[C@@H](CC)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001746159713 1192246629 /nfs/dbraw/zinc/24/66/29/1192246629.db2.gz ZTKCWPCWVSGFGV-BPQIPLTHSA-N 1 3 362.518 0.683 10 30 FCEEHO C#CCN1CCC(C(=O)N[C@@H](CC)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001746159713 1192246637 /nfs/dbraw/zinc/24/66/37/1192246637.db2.gz ZTKCWPCWVSGFGV-BPQIPLTHSA-N 1 3 362.518 0.683 10 30 FCEEHO C#CCN1CCC(C(=O)NC[C@H](CC)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001746160884 1192252436 /nfs/dbraw/zinc/25/24/36/1192252436.db2.gz QPXRQEDZKBOABV-BPQIPLTHSA-N 1 3 362.518 0.683 10 30 FCEEHO C#CCN1CCC(C(=O)NC[C@H](CC)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001746160884 1192252448 /nfs/dbraw/zinc/25/24/48/1192252448.db2.gz QPXRQEDZKBOABV-BPQIPLTHSA-N 1 3 362.518 0.683 10 30 FCEEHO C#CCN(C(=O)C(=O)NC[C@H]1CCN1C1CCCC1)C1CC[NH+](C)CC1 ZINC000910887949 1195858344 /nfs/dbraw/zinc/85/83/44/1195858344.db2.gz WHPOSQJHQJCNHF-GOSISDBHSA-N 1 3 360.502 0.676 10 30 FCEEHO C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1)C(C)C ZINC001335767746 1259829663 /nfs/dbraw/zinc/82/96/63/1259829663.db2.gz HLDKXWIJBGTRGX-LPHOPBHVSA-N 1 3 366.506 0.113 10 30 FCEEHO C#CCNC(=O)[C@H](C)NCc1ccc(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001318991523 1263635952 /nfs/dbraw/zinc/63/59/52/1263635952.db2.gz VTVDKLHQZYRBRK-FRQCXROJSA-N 1 3 370.497 0.871 10 30 FCEEHO C#CCNC(=O)[C@H](C)NCc1ccc(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1 ZINC001318991523 1263635959 /nfs/dbraw/zinc/63/59/59/1263635959.db2.gz VTVDKLHQZYRBRK-FRQCXROJSA-N 1 3 370.497 0.871 10 30 FCEEHO C[C@@H](CN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)NCC(=O)NCC#N ZINC001507124614 1264351406 /nfs/dbraw/zinc/35/14/06/1264351406.db2.gz MTAVFCPRGDRRGK-JQHSSLGASA-N 1 3 371.485 0.408 10 30 FCEEHO C[C@@H](CN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)NCC(=O)NCC#N ZINC001507124614 1264351419 /nfs/dbraw/zinc/35/14/19/1264351419.db2.gz MTAVFCPRGDRRGK-JQHSSLGASA-N 1 3 371.485 0.408 10 30 FCEEHO C=CCN1CC[C@@H](N2CC[C@@H]3CN(C(=O)CCC[NH+](C)C)C[C@@H]3C2)C1=O ZINC001566048371 1269581292 /nfs/dbraw/zinc/58/12/92/1269581292.db2.gz LEGCQQSRBGZLLV-FGTMMUONSA-N 1 3 362.518 0.895 10 30 FCEEHO C=CCNC(=O)[C@@H](C)N1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001570052074 1269833254 /nfs/dbraw/zinc/83/32/54/1269833254.db2.gz HPOIHDXOJGRSRF-BRWVUGGUSA-N 1 3 362.518 0.942 10 30 FCEEHO C=CCNC(=O)[C@@H](C)N1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001570052074 1269833274 /nfs/dbraw/zinc/83/32/74/1269833274.db2.gz HPOIHDXOJGRSRF-BRWVUGGUSA-N 1 3 362.518 0.942 10 30 FCEEHO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CN(C)CCC ZINC001707168697 1286489107 /nfs/dbraw/zinc/48/91/07/1286489107.db2.gz RYIOQADTKBZJRV-IKGGRYGDSA-N 1 3 350.507 0.683 10 30 FCEEHO C#CCN1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CCC[NH+](C)C)CC1 ZINC001736555293 1289436221 /nfs/dbraw/zinc/43/62/21/1289436221.db2.gz DVDOGNMNJFCBNH-QRVBRYPASA-N 1 3 374.529 0.922 10 30 FCEEHO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000420108911 246472837 /nfs/dbraw/zinc/47/28/37/246472837.db2.gz CVGDQQJJIJDMQS-MAUKXSAKSA-N 1 3 371.485 0.563 10 30 FCEEHO CN(C)C(=O)CNC(N[C@@H]1CCN(C2CCCC2)C1)=[NH+]C1CCOCC1 ZINC000262317044 229302180 /nfs/dbraw/zinc/30/21/80/229302180.db2.gz QXXWNWZAMMKYAQ-MRXNPFEDSA-N 1 3 365.522 0.806 10 30 FCEEHO O=C1CC[C@@H](NCC#CC[NH2+][C@@H]2CCC(=O)NC23CCC3)C2(CCC2)N1 ZINC000366968730 489200953 /nfs/dbraw/zinc/20/09/53/489200953.db2.gz GUQLJLCRXNCVGU-HZPDHXFCSA-N 1 3 358.486 0.572 10 30 FCEEHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000595279248 491912003 /nfs/dbraw/zinc/91/20/03/491912003.db2.gz YOHWZMRYQDBMJC-UHFFFAOYSA-N 1 3 369.469 0.317 10 30 FCEEHO C[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)C[C@H]1C[NH3+] ZINC000601580028 491936186 /nfs/dbraw/zinc/93/61/86/491936186.db2.gz IICYOEVUGDMFES-CRAIPNDOSA-N 1 3 371.485 0.502 10 30 FCEEHO C=CCN1CCC(NC(=O)C(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)CC1 ZINC000659706812 493265287 /nfs/dbraw/zinc/26/52/87/493265287.db2.gz OYDVNKZWYZGZFX-KRWDZBQOSA-N 1 3 362.518 0.991 10 30 FCEEHO CCN1CCC[C@@H]1CN(C)C(NCC1CCN(S(C)(=O)=O)CC1)=[NH+]C ZINC000162277974 529058311 /nfs/dbraw/zinc/05/83/11/529058311.db2.gz APUZOOWHZLCAPK-MRXNPFEDSA-N 1 3 373.567 0.650 10 30 FCEEHO C#CCNC(=O)CNCCN(Cc1ccccc1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001279304531 1260830701 /nfs/dbraw/zinc/83/07/01/1260830701.db2.gz KCCGYHKWYHGZAW-IEBWSBKVSA-N 1 3 370.497 0.694 10 30 FCEEHO C#CCNC(=O)CNCCN(Cc1ccccc1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001279304531 1260830712 /nfs/dbraw/zinc/83/07/12/1260830712.db2.gz KCCGYHKWYHGZAW-IEBWSBKVSA-N 1 3 370.497 0.694 10 30 FCEEHO C=CCNC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001479562774 1263255707 /nfs/dbraw/zinc/25/57/07/1263255707.db2.gz ZJWOQXVZVOREFJ-WCXIOVBPSA-N 1 3 350.507 0.846 10 30 FCEEHO C=CCNC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001479562774 1263255713 /nfs/dbraw/zinc/25/57/13/1263255713.db2.gz ZJWOQXVZVOREFJ-WCXIOVBPSA-N 1 3 350.507 0.846 10 30 FCEEHO C#CCNC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CN1CCC(C)CC1 ZINC001479579267 1263261669 /nfs/dbraw/zinc/26/16/69/1263261669.db2.gz DXVUQNQKNLMKNE-MSOLQXFVSA-N 1 3 362.518 0.684 10 30 FCEEHO C=CCNC(=O)CN1CCC2(C1)CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CC2 ZINC001714365698 1287320251 /nfs/dbraw/zinc/32/02/51/1287320251.db2.gz JDOORRKLRWMQMN-IAGOWNOFSA-N 1 3 362.518 0.943 10 30 FCEEHO C=CCNC(=O)CN1CCC2(C1)CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CC2 ZINC001714365698 1287320256 /nfs/dbraw/zinc/32/02/56/1287320256.db2.gz JDOORRKLRWMQMN-IAGOWNOFSA-N 1 3 362.518 0.943 10 30 FCEEHO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CN(C)C1CCC1 ZINC001707160571 1286483534 /nfs/dbraw/zinc/48/35/34/1286483534.db2.gz OCYHMAMAZQOMGN-RYRKJORJSA-N 1 3 362.518 0.825 10 30 FCEEHO C=CCOCCN(CCO)[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001707210429 1287036142 /nfs/dbraw/zinc/03/61/42/1287036142.db2.gz FMTKSCIFKULFPX-FGTMMUONSA-N 1 3 353.507 0.815 10 30 FCEEHO C=CCOCCN(CCO)[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001707210429 1287036153 /nfs/dbraw/zinc/03/61/53/1287036153.db2.gz FMTKSCIFKULFPX-FGTMMUONSA-N 1 3 353.507 0.815 10 30 FCEEHO C#CCN1CCC(C(=O)N[C@H](C)CN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001701625146 1289672162 /nfs/dbraw/zinc/67/21/62/1289672162.db2.gz RFCLSGXVMKQSLI-JFIYKMOQSA-N 1 3 362.518 0.635 10 30 FCEEHO C#CCN1CCC(C(=O)N[C@H](C)CN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001701625146 1289672173 /nfs/dbraw/zinc/67/21/73/1289672173.db2.gz RFCLSGXVMKQSLI-JFIYKMOQSA-N 1 3 362.518 0.635 10 30 FCEEHO C#CCNC(=O)CN[C@@H](CC)CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001665849657 1291886160 /nfs/dbraw/zinc/88/61/60/1291886160.db2.gz DMKMCHPNZRLZRR-OTWHNJEPSA-N 1 3 370.497 0.566 10 30 FCEEHO C#CCNC(=O)CN[C@@H](CC)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001665849657 1291886169 /nfs/dbraw/zinc/88/61/69/1291886169.db2.gz DMKMCHPNZRLZRR-OTWHNJEPSA-N 1 3 370.497 0.566 10 30 FCEEHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000420108910 489914414 /nfs/dbraw/zinc/91/44/14/489914414.db2.gz CVGDQQJJIJDMQS-CRAIPNDOSA-N 1 3 371.485 0.563 10 30 FCEEHO CCN(CCC#N)C(=O)CNC[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001270050845 1187978625 /nfs/dbraw/zinc/97/86/25/1187978625.db2.gz PNSYMFZVQOLZSF-BRWVUGGUSA-N 1 3 363.506 0.669 10 30 FCEEHO CCN(CCC#N)C(=O)CNC[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001270050845 1187978629 /nfs/dbraw/zinc/97/86/29/1187978629.db2.gz PNSYMFZVQOLZSF-BRWVUGGUSA-N 1 3 363.506 0.669 10 30 FCEEHO C=CCN1CCC(NC(=O)C(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)CC1 ZINC000911236908 1195919730 /nfs/dbraw/zinc/91/97/30/1195919730.db2.gz VZHJAQFQLWWXLT-INIZCTEOSA-N 1 3 364.490 0.028 10 30 FCEEHO C=CCNC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CN1CC[C@H](C)C1 ZINC001489047610 1208603652 /nfs/dbraw/zinc/60/36/52/1208603652.db2.gz BVMFMCYSZXBNPM-IKGGRYGDSA-N 1 3 350.507 0.847 10 30 FCEEHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000903720262 1218506839 /nfs/dbraw/zinc/50/68/39/1218506839.db2.gz JPZNNPDSABFQAO-KRWDZBQOSA-N 1 3 371.485 0.644 10 30 FCEEHO C[C@@H](CNCC(=O)NCC#N)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001716453050 1287379928 /nfs/dbraw/zinc/37/99/28/1287379928.db2.gz JLRHGQYKHQSVMS-UAGQMJEPSA-N 1 3 357.458 0.066 10 30 FCEEHO C[C@@H](CNCC(=O)NCC#N)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001716453050 1287379939 /nfs/dbraw/zinc/37/99/39/1287379939.db2.gz JLRHGQYKHQSVMS-UAGQMJEPSA-N 1 3 357.458 0.066 10 30 FCEEHO CC[C@@H]1[C@@H](C(=O)N[C@@H](CNCC(=O)NCC#N)C2CCCC2)CC[N@@H+]1C ZINC001716816751 1287391246 /nfs/dbraw/zinc/39/12/46/1287391246.db2.gz AQTCBHOBUASRTF-YESZJQIVSA-N 1 3 363.506 0.621 10 30 FCEEHO CC[C@@H]1[C@@H](C(=O)N[C@@H](CNCC(=O)NCC#N)C2CCCC2)CC[N@H+]1C ZINC001716816751 1287391252 /nfs/dbraw/zinc/39/12/52/1287391252.db2.gz AQTCBHOBUASRTF-YESZJQIVSA-N 1 3 363.506 0.621 10 30 FCEEHO C#CCN1CCC(C(=O)N2C[C@@H]3C[N@H+](CCOCCO)CC[C@@H]3C2)CC1 ZINC001707226920 1287074155 /nfs/dbraw/zinc/07/41/55/1287074155.db2.gz OFHRDERPVCRCOX-MOPGFXCFSA-N 1 3 363.502 0.121 10 30 FCEEHO C#CCN1CCC(C(=O)N2C[C@@H]3C[N@@H+](CCOCCO)CC[C@@H]3C2)CC1 ZINC001707226920 1287074166 /nfs/dbraw/zinc/07/41/66/1287074166.db2.gz OFHRDERPVCRCOX-MOPGFXCFSA-N 1 3 363.502 0.121 10 30 FCEEHO CC[C@@H]1[C@@H](C(=O)NC[C@H](O)CNCc2ccc(C#N)s2)CC[N@@H+]1C ZINC001732643305 1288586695 /nfs/dbraw/zinc/58/66/95/1288586695.db2.gz BHVONCKZBDSTLQ-UHOFOFEASA-N 1 3 350.488 0.917 10 30 FCEEHO CC[C@@H]1[C@@H](C(=O)NC[C@H](O)CNCc2ccc(C#N)s2)CC[N@H+]1C ZINC001732643305 1288586701 /nfs/dbraw/zinc/58/67/01/1288586701.db2.gz BHVONCKZBDSTLQ-UHOFOFEASA-N 1 3 350.488 0.917 10 30 FCEEHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)CNCc2ccc(C#N)s2)CC[N@@H+]1C ZINC001732643308 1288587394 /nfs/dbraw/zinc/58/73/94/1288587394.db2.gz BHVONCKZBDSTLQ-VBNZEHGJSA-N 1 3 350.488 0.917 10 30 FCEEHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)CNCc2ccc(C#N)s2)CC[N@H+]1C ZINC001732643308 1288587400 /nfs/dbraw/zinc/58/74/00/1288587400.db2.gz BHVONCKZBDSTLQ-VBNZEHGJSA-N 1 3 350.488 0.917 10 30 FCEEHO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CN(C)C(C)C ZINC001264010282 859279547 /nfs/dbraw/zinc/27/95/47/859279547.db2.gz SKISOYFPXGQEQA-ZACQAIPSSA-N 1 3 350.507 0.681 10 30 FCEEHO C=CCN1CCC(NC(=O)NC[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)CC1 ZINC001353331502 867397259 /nfs/dbraw/zinc/39/72/59/867397259.db2.gz XDRQMYGMPLORGZ-OAHLLOKOSA-N 1 3 350.463 0.621 10 30 FCEEHO N#CCCCC[C@H](N)C(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000595984824 491968576 /nfs/dbraw/zinc/96/85/76/491968576.db2.gz DBJBGIVSRGJWTD-HOTGVXAUSA-N 1 3 373.505 0.937 10 30 FCEEHO CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCCOCCC[NH3+])cc1 ZINC000599605746 492192879 /nfs/dbraw/zinc/19/28/79/492192879.db2.gz FFKUCASKAZVCCZ-GFCCVEGCSA-N 1 3 354.432 0.859 10 30 FCEEHO C[NH+]=C(NC[C@H]1CCCN1S(C)(=O)=O)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000262002891 526376988 /nfs/dbraw/zinc/37/69/88/526376988.db2.gz UWRCCRHRAJCDGQ-RBSFLKMASA-N 1 3 359.540 0.304 10 30 FCEEHO CC(C)N(CC#CC[N@H+](C[C@H]1CCC(=O)N1)C(C)C)C[C@H]1CCC(=O)N1 ZINC000412071781 528856467 /nfs/dbraw/zinc/85/64/67/528856467.db2.gz HWSXQVIRDPBXKE-QZTJIDSGSA-N 1 3 362.518 0.968 10 30 FCEEHO CC(C)N(CC#CC[N@@H+](C[C@H]1CCC(=O)N1)C(C)C)C[C@H]1CCC(=O)N1 ZINC000412071781 528856476 /nfs/dbraw/zinc/85/64/76/528856476.db2.gz HWSXQVIRDPBXKE-QZTJIDSGSA-N 1 3 362.518 0.968 10 30 FCEEHO C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1)C(C)C ZINC001335767747 1259830039 /nfs/dbraw/zinc/83/00/39/1259830039.db2.gz HLDKXWIJBGTRGX-QFBILLFUSA-N 1 3 366.506 0.113 10 30 FCEEHO CCN(CCC#N)C(=O)CNC[C@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001715325276 1287350402 /nfs/dbraw/zinc/35/04/02/1287350402.db2.gz CDRZYUCASRAFAQ-ARFHVFGLSA-N 1 3 351.495 0.525 10 30 FCEEHO CCN(CCC#N)C(=O)CNC[C@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001715325276 1287350406 /nfs/dbraw/zinc/35/04/06/1287350406.db2.gz CDRZYUCASRAFAQ-ARFHVFGLSA-N 1 3 351.495 0.525 10 30 FCEEHO C#CCNC(=O)[C@H](C)NC[C@@H]1C[C@H](C)CCN1C(=O)CC[N@@H+](C)CC ZINC001264562714 859386617 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373.567 0.552 10 30 FCEEHO CC[NH+]=C(NCC1(N2CCCC2)CCOCC1)N[C@H]1CCC(=O)N(C)C1 ZINC000262769365 528803579 /nfs/dbraw/zinc/80/35/79/528803579.db2.gz HGXMSGRWBWZDRZ-INIZCTEOSA-N 1 3 365.522 0.807 10 30 FCEEHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCCCN1S(=O)(=O)N(C)C ZINC000262268053 529101394 /nfs/dbraw/zinc/10/13/94/529101394.db2.gz HTJVVXQQGZENLV-LSDHHAIUSA-N 1 3 374.555 0.036 10 30 FCEEHO C#CCN(C)CCCNC(=O)NC1CCN(C(=O)CCC[NH2+]C)CC1 ZINC000851661092 671455047 /nfs/dbraw/zinc/45/50/47/671455047.db2.gz FAKRXNMXLYQTDG-UHFFFAOYSA-N 1 3 351.495 0.231 10 30 FCEEHO C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000876980329 672991495 /nfs/dbraw/zinc/99/14/95/672991495.db2.gz FVTDDKQMSJBDIV-KGLIPLIRSA-N 1 3 366.897 0.995 10 30 FCEEHO C#CCN1CCC(C(=O)NCC2(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)CC1 ZINC001299183344 1190833858 /nfs/dbraw/zinc/83/38/58/1190833858.db2.gz XZTWRXMDELTWGA-NVXWUHKLSA-N 1 3 360.502 0.437 10 30 FCEEHO 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CCN(CCC#N)C(=O)CNC[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001270050847 1187978325 /nfs/dbraw/zinc/97/83/25/1187978325.db2.gz PNSYMFZVQOLZSF-IXDOHACOSA-N 1 3 363.506 0.669 10 30 FCEEHO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CC[C@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001488943809 1208580589 /nfs/dbraw/zinc/58/05/89/1208580589.db2.gz FSXSKZJRYAEKQU-YESZJQIVSA-N 1 3 362.518 0.873 10 30 FCEEHO C#CCN(C(=O)C(=O)NC[C@@H](C)N1CCC(C)CC1)C1CC[NH+](C)CC1 ZINC000929781486 1211659993 /nfs/dbraw/zinc/65/99/93/1211659993.db2.gz LGZKQGMOBDVZLH-QGZVFWFLSA-N 1 3 362.518 0.779 10 30 FCEEHO C=CCN1CCC(NC(=O)C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)CC1 ZINC001329804330 1265854726 /nfs/dbraw/zinc/85/47/26/1265854726.db2.gz KIVOTQJEOCTSRS-UHFFFAOYSA-N 1 3 374.489 0.855 10 30 FCEEHO C#CCN1CCC(C(=O)NCCN(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001496144033 1263860701 /nfs/dbraw/zinc/86/07/01/1263860701.db2.gz UCFVGVDDYCKFHD-ZWKOTPCHSA-N 1 3 362.518 0.637 10 30 FCEEHO C#CCN1CCC(C(=O)NCCN(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001496144033 1263860715 /nfs/dbraw/zinc/86/07/15/1263860715.db2.gz UCFVGVDDYCKFHD-ZWKOTPCHSA-N 1 3 362.518 0.637 10 30 FCEEHO C#CCN1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CC[N@@H+](C)CC)CC1 ZINC001686183679 1292805909 /nfs/dbraw/zinc/80/59/09/1292805909.db2.gz KIEHZNLQSWQHOW-QRVBRYPASA-N 1 3 374.529 0.922 10 30 FCEEHO C#CCN1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CC[N@H+](C)CC)CC1 ZINC001686183679 1292805922 /nfs/dbraw/zinc/80/59/22/1292805922.db2.gz KIEHZNLQSWQHOW-QRVBRYPASA-N 1 3 374.529 0.922 10 30 FCEEHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1ccc(C#N)cc1F ZINC000586862478 491734225 /nfs/dbraw/zinc/73/42/25/491734225.db2.gz YAWHRHGWXYYNIT-UHFFFAOYSA-N 1 3 363.437 0.265 10 30 FCEEHO C=C(C)C[NH+]1CCC(NC(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)CC1 ZINC000645212402 492878350 /nfs/dbraw/zinc/87/83/50/492878350.db2.gz HJIQVMLYVPARPO-HNNXBMFYSA-N 1 3 351.495 0.788 10 30 FCEEHO C[NH+]=C(NCC1(N2CCCC2)CCOCC1)N[C@@H]1CCC(=O)N(C)C1 ZINC000262776310 526350642 /nfs/dbraw/zinc/35/06/42/526350642.db2.gz JHQZALZIIMDJPG-OAHLLOKOSA-N 1 3 351.495 0.417 10 30 FCEEHO C[NH+]=C(NCC1(N2CCC(OC)CC2)CCCC1)N[C@H]1CCC(=O)NC1 ZINC000262798792 526413473 /nfs/dbraw/zinc/41/34/73/526413473.db2.gz QKPOTYGBEKGIDH-HNNXBMFYSA-N 1 3 365.522 0.854 10 30 FCEEHO CC[NH+]=C(NC[C@@H]1CCN(S(C)(=O)=O)C1)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000158441059 528810838 /nfs/dbraw/zinc/81/08/38/528810838.db2.gz AUNRXCNDUUXNCO-HRCADAONSA-N 1 3 373.567 0.552 10 30 FCEEHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCCCN1S(=O)(=O)N(C)C ZINC000262268038 529073054 /nfs/dbraw/zinc/07/30/54/529073054.db2.gz HTJVVXQQGZENLV-CABCVRRESA-N 1 3 374.555 0.036 10 30 FCEEHO C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000876980331 672991313 /nfs/dbraw/zinc/99/13/13/672991313.db2.gz FVTDDKQMSJBDIV-ZIAGYGMSSA-N 1 3 366.897 0.995 10 30 FCEEHO C#CCN(C(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1)C1CCN(C)CC1 ZINC000910887761 1195858547 /nfs/dbraw/zinc/85/85/47/1195858547.db2.gz UHSIZXARBCXXBD-SFHVURJKSA-N 1 3 374.529 0.733 10 30 FCEEHO C#CCN(C(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1)C1CCN(C)CC1 ZINC000910887761 1195858550 /nfs/dbraw/zinc/85/85/50/1195858550.db2.gz UHSIZXARBCXXBD-SFHVURJKSA-N 1 3 374.529 0.733 10 30 FCEEHO C=CCN1CCC(NC(=O)C(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)CC1 ZINC000911236909 1195919981 /nfs/dbraw/zinc/91/99/81/1195919981.db2.gz VZHJAQFQLWWXLT-MRXNPFEDSA-N 1 3 364.490 0.028 10 30 FCEEHO C#CCN(C(=O)C(=O)NCC1CC[NH+](CCC)CC1)C1CCN(C)CC1 ZINC000929647995 1211653082 /nfs/dbraw/zinc/65/30/82/1211653082.db2.gz YDJJAINRPURESQ-UHFFFAOYSA-N 1 3 362.518 0.781 10 30 FCEEHO C=CCN1CCC(NC(=O)C(=O)N[C@H](CC[NH+](C)C)c2cccnc2)CC1 ZINC000930006000 1211682211 /nfs/dbraw/zinc/68/22/11/1211682211.db2.gz AADMQSSHISGJFI-GOSISDBHSA-N 1 3 373.501 0.957 10 30 FCEEHO C#CCN(C(=O)C(=O)N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1)C1CCN(C)CC1 ZINC001120404247 1222078799 /nfs/dbraw/zinc/07/87/99/1222078799.db2.gz XNZRSSBYEKNXDY-SCTDSRPQSA-N 1 3 374.529 0.731 10 30 FCEEHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N(C)CCc1cccc(C#N)c1 ZINC001330415764 1266019266 /nfs/dbraw/zinc/01/92/66/1266019266.db2.gz USHULRGWCTXCIO-UHFFFAOYSA-N 1 3 373.501 0.511 10 30 FCEEHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1)C(C)C ZINC001335767748 1259829885 /nfs/dbraw/zinc/82/98/85/1259829885.db2.gz HLDKXWIJBGTRGX-VQIMIIECSA-N 1 3 366.506 0.113 10 30 FCEEHO C[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)[C@H](CNCC(=O)NCC#N)C1 ZINC001565979023 1269537456 /nfs/dbraw/zinc/53/74/56/1269537456.db2.gz DBHKLMPTLNFIMP-SJORKVTESA-N 1 3 363.506 0.719 10 30 FCEEHO C#CCN1CCC(C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]CC(=O)N(C)C)CC1 ZINC001656598506 1291551004 /nfs/dbraw/zinc/55/10/04/1291551004.db2.gz SPGLAMTZTUFFFH-AEFFLSMTSA-N 1 3 362.518 0.637 10 30 FCEEHO C[NH+]=C(NCC1(N2CCCCC2)CCN(C)CC1)N[C@H]1CCC(=O)NC1 ZINC000262824440 526351514 /nfs/dbraw/zinc/35/15/14/526351514.db2.gz ZITTUWALPSEBND-INIZCTEOSA-N 1 3 364.538 0.380 10 30 FCEEHO CC[NH+]=C(NC[C@@H]1CCN(S(C)(=O)=O)C1)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000261661349 528810938 /nfs/dbraw/zinc/81/09/38/528810938.db2.gz AUNRXCNDUUXNCO-OWCLPIDISA-N 1 3 373.567 0.552 10 30 FCEEHO C=CCN1CCC(NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)CC1 ZINC000911235495 666326277 /nfs/dbraw/zinc/32/62/77/666326277.db2.gz FUZGCPPXRVPJDI-QWHCGFSZSA-N 1 3 362.396 0.491 10 30 FCEEHO C=CCNC(=O)NC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)CC[NH+](C)C ZINC001489043703 1208602695 /nfs/dbraw/zinc/60/26/95/1208602695.db2.gz MMPVHUUZCLDGGX-CABCVRRESA-N 1 3 367.494 0.167 10 30 FCEEHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCC(=O)NCC#Cc1ccccc1 ZINC001491456251 1220139568 /nfs/dbraw/zinc/13/95/68/1220139568.db2.gz FLPCPPCWZUPUAF-YQVWRLOYSA-N 1 3 370.497 0.589 10 30 FCEEHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCC(=O)NCC#Cc1ccccc1 ZINC001491456251 1220139572 /nfs/dbraw/zinc/13/95/72/1220139572.db2.gz FLPCPPCWZUPUAF-YQVWRLOYSA-N 1 3 370.497 0.589 10 30 FCEEHO C#CCN(C)CCCNC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000836487819 1222625576 /nfs/dbraw/zinc/62/55/76/1222625576.db2.gz BIPBRJYMHFZTBJ-DFNIBXOVSA-N 1 3 361.534 0.894 10 30 FCEEHO C#CCN(C)CCCNC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000836487819 1222625581 /nfs/dbraw/zinc/62/55/81/1222625581.db2.gz BIPBRJYMHFZTBJ-DFNIBXOVSA-N 1 3 361.534 0.894 10 30 FCEEHO C=CCN1CCC(NC(=O)C(=O)N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)CC1 ZINC001334762182 1267165186 /nfs/dbraw/zinc/16/51/86/1267165186.db2.gz GUKSFFAKWWIEJF-BQFCYCMXSA-N 1 3 362.518 0.942 10 30 FCEEHO CN(C)CC#CCNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC001565496507 1269477583 /nfs/dbraw/zinc/47/75/83/1269477583.db2.gz KJPYNYHYXBIQKO-RTBURBONSA-N 1 3 358.486 0.734 10 30 FCEEHO CN(C)CC#CCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC001565496507 1269477586 /nfs/dbraw/zinc/47/75/86/1269477586.db2.gz KJPYNYHYXBIQKO-RTBURBONSA-N 1 3 358.486 0.734 10 30 FCEEHO C[C@H](NCC(=O)NCC#N)c1ccc(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001570030899 1269831109 /nfs/dbraw/zinc/83/11/09/1269831109.db2.gz DNUNCTPMNZIRQR-HDMKZQKVSA-N 1 3 371.485 0.933 10 30 FCEEHO C[C@H](NCC(=O)NCC#N)c1ccc(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1 ZINC001570030899 1269831129 /nfs/dbraw/zinc/83/11/29/1269831129.db2.gz DNUNCTPMNZIRQR-HDMKZQKVSA-N 1 3 371.485 0.933 10 30 FCEEHO C[C@@H]1[C@H](C(=O)NC[C@@H](CO)NCc2ccc(OCC#N)cc2)CC[N@@H+]1C ZINC001700791903 1289607576 /nfs/dbraw/zinc/60/75/76/1289607576.db2.gz MOKFHBBEILRELA-UWWQBHOKSA-N 1 3 360.458 0.496 10 30 FCEEHO C[C@@H]1[C@H](C(=O)NC[C@@H](CO)NCc2ccc(OCC#N)cc2)CC[N@H+]1C ZINC001700791903 1289607582 /nfs/dbraw/zinc/60/75/82/1289607582.db2.gz MOKFHBBEILRELA-UWWQBHOKSA-N 1 3 360.458 0.496 10 30 FCEEHO C=CCNC(=O)CN[C@@H]1CCCCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001656889966 1291571327 /nfs/dbraw/zinc/57/13/27/1291571327.db2.gz SIMXUOHXPOSDHJ-BRWVUGGUSA-N 1 3 350.507 0.990 10 30 FCEEHO C=CCNC(=O)CN[C@@H]1CCCCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001656889966 1291571333 /nfs/dbraw/zinc/57/13/33/1291571333.db2.gz SIMXUOHXPOSDHJ-BRWVUGGUSA-N 1 3 350.507 0.990 10 30 FCEEHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C)C(C)C ZINC000419573432 246207682 /nfs/dbraw/zinc/20/76/82/246207682.db2.gz RWAPQHRLKNWSGD-YESZJQIVSA-N 1 3 350.507 0.915 10 30 FCEEHO C(#CC[N@@H+]1CC[C@H](Cn2ccnn2)C1)CN1CC[C@H](Cn2ccnn2)C1 ZINC000661139339 493411210 /nfs/dbraw/zinc/41/12/10/493411210.db2.gz HRHBPGYEABKALE-ROUUACIJSA-N 1 3 354.462 0.217 10 30 FCEEHO C(#CC[N@H+]1CC[C@H](Cn2ccnn2)C1)CN1CC[C@H](Cn2ccnn2)C1 ZINC000661139339 493411213 /nfs/dbraw/zinc/41/12/13/493411213.db2.gz HRHBPGYEABKALE-ROUUACIJSA-N 1 3 354.462 0.217 10 30 FCEEHO C[NH+]=C(NCC1(N2CCCC2)CCOCC1)N1CCN(C2CC2)C(=O)C1 ZINC000262805515 526350148 /nfs/dbraw/zinc/35/01/48/526350148.db2.gz SPZYUUYYGGXXIQ-UHFFFAOYSA-N 1 3 363.506 0.513 10 30 FCEEHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000593772632 1196819925 /nfs/dbraw/zinc/81/99/25/1196819925.db2.gz VVKDIRTWECLECH-UHFFFAOYSA-N 1 3 371.485 0.694 10 30 FCEEHO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000850820515 1209490907 /nfs/dbraw/zinc/49/09/07/1209490907.db2.gz NWPJRVFJKCGDPM-QGZVFWFLSA-N 1 3 358.442 0.357 10 30 FCEEHO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000850820515 1209490912 /nfs/dbraw/zinc/49/09/12/1209490912.db2.gz NWPJRVFJKCGDPM-QGZVFWFLSA-N 1 3 358.442 0.357 10 30 FCEEHO C#CCN(C(=O)C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1)C1CCN(C)CC1 ZINC000929791117 1211661075 /nfs/dbraw/zinc/66/10/75/1211661075.db2.gz CECYZFGBYUVTEV-KRWDZBQOSA-N 1 3 362.518 0.779 10 30 FCEEHO C#CCN(C(=O)C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1)C1CCN(C)CC1 ZINC000929791117 1211661077 /nfs/dbraw/zinc/66/10/77/1211661077.db2.gz CECYZFGBYUVTEV-KRWDZBQOSA-N 1 3 362.518 0.779 10 30 FCEEHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCC(=O)NCC#Cc1ccccc1 ZINC001491456252 1220139446 /nfs/dbraw/zinc/13/94/46/1220139446.db2.gz FLPCPPCWZUPUAF-ZHALLVOQSA-N 1 3 370.497 0.589 10 30 FCEEHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCC(=O)NCC#Cc1ccccc1 ZINC001491456252 1220139451 /nfs/dbraw/zinc/13/94/51/1220139451.db2.gz FLPCPPCWZUPUAF-ZHALLVOQSA-N 1 3 370.497 0.589 10 30 FCEEHO C#CCN(C(=O)C(=O)N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1)C1CCN(C)CC1 ZINC001120404246 1222079097 /nfs/dbraw/zinc/07/90/97/1222079097.db2.gz XNZRSSBYEKNXDY-LNLFQRSKSA-N 1 3 374.529 0.731 10 30 FCEEHO C=CCNC(=O)CN[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001317065793 1263500490 /nfs/dbraw/zinc/50/04/90/1263500490.db2.gz XBBVAWYWTGAGAE-OTWHNJEPSA-N 1 3 370.497 0.825 10 30 FCEEHO C=CCNC(=O)CN[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001317065793 1263500498 /nfs/dbraw/zinc/50/04/98/1263500498.db2.gz XBBVAWYWTGAGAE-OTWHNJEPSA-N 1 3 370.497 0.825 10 30 FCEEHO C#CCNC(=O)[C@H](C)NCCN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001317631472 1263518330 /nfs/dbraw/zinc/51/83/30/1263518330.db2.gz PIVCJVLWQQSYKA-UHOSZYNNSA-N 1 3 370.497 0.518 10 30 FCEEHO C#CCNC(=O)[C@H](C)NCCN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001317631472 1263518334 /nfs/dbraw/zinc/51/83/34/1263518334.db2.gz PIVCJVLWQQSYKA-UHOSZYNNSA-N 1 3 370.497 0.518 10 30 FCEEHO C#CCNC(=O)[C@@H](C)N(C)CC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001713764198 1287296528 /nfs/dbraw/zinc/29/65/28/1287296528.db2.gz SYKJXFGWHCQVJQ-JFIYKMOQSA-N 1 3 362.518 0.635 10 30 FCEEHO C#CCNC(=O)[C@@H](C)N(C)CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001713764198 1287296529 /nfs/dbraw/zinc/29/65/29/1287296529.db2.gz SYKJXFGWHCQVJQ-JFIYKMOQSA-N 1 3 362.518 0.635 10 30 FCEEHO C[C@@H]1[C@H](C(=O)NC[C@H](CO)NCc2ccc(OCC#N)cc2)CC[N@@H+]1C ZINC001700791902 1289608638 /nfs/dbraw/zinc/60/86/38/1289608638.db2.gz MOKFHBBEILRELA-QGPMSJSTSA-N 1 3 360.458 0.496 10 30 FCEEHO C[C@@H]1[C@H](C(=O)NC[C@H](CO)NCc2ccc(OCC#N)cc2)CC[N@H+]1C ZINC001700791902 1289608651 /nfs/dbraw/zinc/60/86/51/1289608651.db2.gz MOKFHBBEILRELA-QGPMSJSTSA-N 1 3 360.458 0.496 10 30 FCEEHO C#CCN1CCC(C(=O)NC[C@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001758780433 1290840404 /nfs/dbraw/zinc/84/04/04/1290840404.db2.gz DQUBLYXJZOFRQK-RYQLBKOJSA-N 1 3 362.518 0.683 10 30 FCEEHO C#CCN1CCC(C(=O)NC[C@H](C)NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001758780433 1290840414 /nfs/dbraw/zinc/84/04/14/1290840414.db2.gz DQUBLYXJZOFRQK-RYQLBKOJSA-N 1 3 362.518 0.683 10 30 FCEEHO C#CCN1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)NCC=C)C2)CC1 ZINC001656386072 1291517538 /nfs/dbraw/zinc/51/75/38/1291517538.db2.gz IYPJBXZSCQIVMK-FUHWJXTLSA-N 1 3 360.502 0.508 10 30 FCEEHO CCO[C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1C[NH2+]CC#CCOC ZINC001263973666 859263208 /nfs/dbraw/zinc/26/32/08/859263208.db2.gz BDBDUSLWPRLYAL-KZNAEPCWSA-N 1 3 353.507 0.676 10 30 FCEEHO CN(C)C(=O)CNC(NC1C[C@H]2CCC[C@@H](C1)N2C)=[NH+]C[C@@H]1CCCO1 ZINC000262298855 229302413 /nfs/dbraw/zinc/30/24/13/229302413.db2.gz NFMMSLYRFCCFFK-HMQMGEFJSA-N 1 3 365.522 0.804 10 30 FCEEHO CC(C)N(CC#CC[N@H+](C[C@@H]1CCC(=O)N1)C(C)C)C[C@@H]1CCC(=O)N1 ZINC000412071782 528857344 /nfs/dbraw/zinc/85/73/44/528857344.db2.gz HWSXQVIRDPBXKE-ROUUACIJSA-N 1 3 362.518 0.968 10 30 FCEEHO 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351.495 0.788 10 30 FCEEHO CCCN1CCC[C@@H]1C(=O)NCC#CCNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC000681340243 493757375 /nfs/dbraw/zinc/75/73/75/493757375.db2.gz DAIXJGZQCNGJSW-QZTJIDSGSA-N 1 3 362.518 0.971 10 30 FCEEHO CCCN1CCC[C@@H]1C(=O)NCC#CCNC(=O)[C@H]1CCC[N@H+]1CCC ZINC000681340243 493757379 /nfs/dbraw/zinc/75/73/79/493757379.db2.gz DAIXJGZQCNGJSW-QZTJIDSGSA-N 1 3 362.518 0.971 10 30 FCEEHO C[NH+]=C(NCC1(N2CCCCC2)CCN(C)CC1)N[C@@H]1CCC(=O)NC1 ZINC000262824442 526351941 /nfs/dbraw/zinc/35/19/41/526351941.db2.gz ZITTUWALPSEBND-MRXNPFEDSA-N 1 3 364.538 0.380 10 30 FCEEHO CC[NH+]=C(NCCN1CCCN(C)CC1)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000261735217 528805290 /nfs/dbraw/zinc/80/52/90/528805290.db2.gz JWLZCKUVMUISBU-IBGZPJMESA-N 1 3 364.538 0.192 10 30 FCEEHO C#CCN(C(=O)C(=O)N1CCC(CC[NH+](C)C)CC1)C1CCN(C)CC1 ZINC000910886921 1195857930 /nfs/dbraw/zinc/85/79/30/1195857930.db2.gz XQTWLJNIQUBLKI-UHFFFAOYSA-N 1 3 362.518 0.733 10 30 FCEEHO C#CCN(C(=O)C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1)C1CCN(C)CC1 ZINC000910887760 1195858337 /nfs/dbraw/zinc/85/83/37/1195858337.db2.gz UHSIZXARBCXXBD-GOSISDBHSA-N 1 3 374.529 0.733 10 30 FCEEHO C#CCN(C(=O)C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1)C1CCN(C)CC1 ZINC000910887760 1195858338 /nfs/dbraw/zinc/85/83/38/1195858338.db2.gz UHSIZXARBCXXBD-GOSISDBHSA-N 1 3 374.529 0.733 10 30 FCEEHO C#CCN(C(=O)C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1)C1CCN(C)CC1 ZINC000929791118 1211661641 /nfs/dbraw/zinc/66/16/41/1211661641.db2.gz CECYZFGBYUVTEV-QGZVFWFLSA-N 1 3 362.518 0.779 10 30 FCEEHO C#CCN(C(=O)C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1)C1CCN(C)CC1 ZINC000929791118 1211661643 /nfs/dbraw/zinc/66/16/43/1211661643.db2.gz CECYZFGBYUVTEV-QGZVFWFLSA-N 1 3 362.518 0.779 10 30 FCEEHO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CN(C)CCC)C[C@H]1C ZINC001479110226 1263168225 /nfs/dbraw/zinc/16/82/25/1263168225.db2.gz GEKBRZNHDJBOLQ-RBSFLKMASA-N 1 3 367.494 0.165 10 30 FCEEHO C#CCN1CCC(C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+][C@@H](C)C(=O)NC)CC1 ZINC001479584879 1263265392 /nfs/dbraw/zinc/26/53/92/1263265392.db2.gz GRTRXVDCWUJVKB-RYRKJORJSA-N 1 3 362.518 0.683 10 30 FCEEHO C#CCN1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)N(C)CC)C2)CC1 ZINC001565919324 1269518193 /nfs/dbraw/zinc/51/81/93/1269518193.db2.gz CYDKSGZZAMYSRA-FUHWJXTLSA-N 1 3 362.518 0.684 10 30 FCEEHO C#CCNC(=O)[C@H](C)NC[C@@H]1C[C@H](C)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001707161793 1286484366 /nfs/dbraw/zinc/48/43/66/1286484366.db2.gz RTHBMFSPRQCHKG-IKGGRYGDSA-N 1 3 362.518 0.683 10 30 FCEEHO C=CCNC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001264564496 859386837 /nfs/dbraw/zinc/38/68/37/859386837.db2.gz ULGDCRQXZODDTE-IKGGRYGDSA-N 1 3 350.507 0.847 10 30 FCEEHO C=CCNC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001264564496 859386848 /nfs/dbraw/zinc/38/68/48/859386848.db2.gz ULGDCRQXZODDTE-IKGGRYGDSA-N 1 3 350.507 0.847 10 30 FCEEHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](C[C@@H](O)COC)[C@@H]2CC)CC1 ZINC001264627112 859406274 /nfs/dbraw/zinc/40/62/74/859406274.db2.gz GETVKPKXYNPLEM-FGTMMUONSA-N 1 3 351.491 0.308 10 30 FCEEHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](C[C@@H](O)COC)[C@@H]2CC)CC1 ZINC001264627112 859406280 /nfs/dbraw/zinc/40/62/80/859406280.db2.gz GETVKPKXYNPLEM-FGTMMUONSA-N 1 3 351.491 0.308 10 30 FCEEHO C=CCNC(=O)CN[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1(C)C ZINC001284297448 864551956 /nfs/dbraw/zinc/55/19/56/864551956.db2.gz UODPEPSHFDKVGZ-XHSDSOJGSA-N 1 3 350.507 0.846 10 30 FCEEHO C=CCNC(=O)CN[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1(C)C ZINC001284297448 864551967 /nfs/dbraw/zinc/55/19/67/864551967.db2.gz UODPEPSHFDKVGZ-XHSDSOJGSA-N 1 3 350.507 0.846 10 30 FCEEHO C=C(Cl)C[C@H](N)C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001331706762 873205987 /nfs/dbraw/zinc/20/59/87/873205987.db2.gz INRQGOASTVKGTC-MJBXVCDLSA-N 1 3 355.870 0.203 10 30 FCEEHO C[NH+](C)C1CCN(CCNCCS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000515347390 490820194 /nfs/dbraw/zinc/82/01/94/490820194.db2.gz DVIXHKNHWJMMGI-UHFFFAOYSA-N 1 3 364.515 0.948 10 30 FCEEHO CN(CCC#N)C[C@H](O)C[NH2+]CC1(N2CCCCC2)CCN(C)CC1 ZINC000582176561 491801271 /nfs/dbraw/zinc/80/12/71/491801271.db2.gz ABGBMVXYNDALMA-GOSISDBHSA-N 1 3 351.539 0.733 10 30 FCEEHO C[NH+]=C(NCC1(N2CCCC2)CCOCC1)N[C@H]1CCC(=O)N(C)C1 ZINC000262776308 526351911 /nfs/dbraw/zinc/35/19/11/526351911.db2.gz JHQZALZIIMDJPG-HNNXBMFYSA-N 1 3 351.495 0.417 10 30 FCEEHO C([C@@H]1CO1)N(C[C@H]1CO1)C[C@@H]1CCC[C@H](C[NH+](C[C@@H]2CO2)C[C@@H]2CO2)C1 ZINC000255975695 527494168 /nfs/dbraw/zinc/49/41/68/527494168.db2.gz HASUCEDGKYJBDC-WMDIELAYSA-N 1 3 366.502 0.992 10 30 FCEEHO C([C@@H]1CO1)N(C[C@@H]1CO1)C[C@H]1CCC[C@@H](C[N@@H+](C[C@@H]2CO2)C[C@H]2CO2)C1 ZINC000255975695 527494174 /nfs/dbraw/zinc/49/41/74/527494174.db2.gz HASUCEDGKYJBDC-WMDIELAYSA-N 1 3 366.502 0.992 10 30 FCEEHO C([C@@H]1CO1)N(C[C@@H]1CO1)C[C@H]1CCC[C@@H](C[N@H+](C[C@@H]2CO2)C[C@H]2CO2)C1 ZINC000255975695 527494176 /nfs/dbraw/zinc/49/41/76/527494176.db2.gz HASUCEDGKYJBDC-WMDIELAYSA-N 1 3 366.502 0.992 10 30 FCEEHO CC[NH+]=C(NCC1(N2CCCC2)CCOCC1)N[C@H]1CCC(=O)NC1 ZINC000262803724 528803506 /nfs/dbraw/zinc/80/35/06/528803506.db2.gz RUZGOPLNOHXAEL-HNNXBMFYSA-N 1 3 351.495 0.465 10 30 FCEEHO C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000876980330 672991481 /nfs/dbraw/zinc/99/14/81/672991481.db2.gz FVTDDKQMSJBDIV-UONOGXRCSA-N 1 3 366.897 0.995 10 30 FCEEHO C#CCN(C(=O)C(=O)NC[C@@]1(N(C)C)CCSC1)C1CC[NH+](C)CC1 ZINC000929464162 673957389 /nfs/dbraw/zinc/95/73/89/673957389.db2.gz BXCNRHUDINKSRD-SFHVURJKSA-N 1 3 366.531 0.096 10 30 FCEEHO C=CCNC(=O)CNC[C@@H](C)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001268663870 1187754288 /nfs/dbraw/zinc/75/42/88/1187754288.db2.gz PPCLZJNEZRLNFI-NXHRZFHOSA-N 1 3 358.486 0.728 10 30 FCEEHO C=CCNC(=O)CNC[C@@H](C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001268663870 1187754295 /nfs/dbraw/zinc/75/42/95/1187754295.db2.gz PPCLZJNEZRLNFI-NXHRZFHOSA-N 1 3 358.486 0.728 10 30 FCEEHO C#CCN(C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)C1CCN(C)CC1 ZINC000919517368 1245606349 /nfs/dbraw/zinc/60/63/49/1245606349.db2.gz PMEKCWDKSVGZGQ-MRXNPFEDSA-N 1 3 363.506 0.313 10 30 FCEEHO C#CCN(C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)C1CCN(C)CC1 ZINC000919517368 1245606358 /nfs/dbraw/zinc/60/63/58/1245606358.db2.gz PMEKCWDKSVGZGQ-MRXNPFEDSA-N 1 3 363.506 0.313 10 30 FCEEHO C#CCN(C)CCCNC(=O)NCc1ccc(CN2CC[NH2+]CC2)cc1 ZINC001336877554 1260244580 /nfs/dbraw/zinc/24/45/80/1260244580.db2.gz RKPSBYQPPYKVEJ-UHFFFAOYSA-N 1 3 357.502 0.846 10 30 FCEEHO C=CCNC(=O)[C@H](C)NC[C@@H]1C[C@H](C)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001316707765 1263432686 /nfs/dbraw/zinc/43/26/86/1263432686.db2.gz GCIXCDNQDHCEFH-IKGGRYGDSA-N 1 3 362.518 0.990 10 30 FCEEHO C#CCN[C@]1(CO)CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001484849547 1263490545 /nfs/dbraw/zinc/49/05/45/1263490545.db2.gz XMWFZXVUKRYOAI-SVFBPWRDSA-N 1 3 355.482 0.908 10 30 FCEEHO C#CCN[C@]1(CO)CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001484849547 1263490547 /nfs/dbraw/zinc/49/05/47/1263490547.db2.gz XMWFZXVUKRYOAI-SVFBPWRDSA-N 1 3 355.482 0.908 10 30 FCEEHO C=CCNC(=O)CNC[C@H](C)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001715995236 1287367888 /nfs/dbraw/zinc/36/78/88/1287367888.db2.gz PPCLZJNEZRLNFI-JQHSSLGASA-N 1 3 358.486 0.728 10 30 FCEEHO C=CCNC(=O)CNC[C@H](C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001715995236 1287367889 /nfs/dbraw/zinc/36/78/89/1287367889.db2.gz PPCLZJNEZRLNFI-JQHSSLGASA-N 1 3 358.486 0.728 10 30 FCEEHO C#CCN1CCC(C(=O)N[C@H](C)CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001583768808 1282109919 /nfs/dbraw/zinc/10/99/19/1282109919.db2.gz LJTRSRFIJMEAMT-BPQIPLTHSA-N 1 3 362.518 0.683 10 30 FCEEHO C#CCN1CCC(C(=O)N[C@H](C)CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001583768808 1282109933 /nfs/dbraw/zinc/10/99/33/1282109933.db2.gz LJTRSRFIJMEAMT-BPQIPLTHSA-N 1 3 362.518 0.683 10 30 FCEEHO C=CCNC(=O)[C@H](C)N(C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001277397894 861860274 /nfs/dbraw/zinc/86/02/74/861860274.db2.gz XZAFFQWQFGWBEJ-HLLBOEOZSA-N 1 3 350.507 0.940 10 30 FCEEHO C=CCNC(=O)[C@H](C)N(C)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001277397894 861860296 /nfs/dbraw/zinc/86/02/96/861860296.db2.gz XZAFFQWQFGWBEJ-HLLBOEOZSA-N 1 3 350.507 0.940 10 30 FCEEHO C=CCNC(=O)[C@@H](C)N(C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001277397892 861860668 /nfs/dbraw/zinc/86/06/68/861860668.db2.gz XZAFFQWQFGWBEJ-BFYDXBDKSA-N 1 3 350.507 0.940 10 30 FCEEHO C=CCNC(=O)[C@@H](C)N(C)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001277397892 861860687 /nfs/dbraw/zinc/86/06/87/861860687.db2.gz XZAFFQWQFGWBEJ-BFYDXBDKSA-N 1 3 350.507 0.940 10 30 FCEEHO C#CCNC(=O)[C@@H](C)NC[C@@H]1C[C@H](C)CCN1C(=O)CC[N@@H+](C)CC ZINC001264562715 859386269 /nfs/dbraw/zinc/38/62/69/859386269.db2.gz NVYVTOLZKLMKRB-ZACQAIPSSA-N 1 3 350.507 0.683 10 30 FCEEHO C#CCNC(=O)[C@@H](C)NC[C@@H]1C[C@H](C)CCN1C(=O)CC[N@H+](C)CC ZINC001264562715 859386276 /nfs/dbraw/zinc/38/62/76/859386276.db2.gz NVYVTOLZKLMKRB-ZACQAIPSSA-N 1 3 350.507 0.683 10 30 FCEEHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](C[C@H](O)COC)[C@@H]2CC)CC1 ZINC001264627118 859406527 /nfs/dbraw/zinc/40/65/27/859406527.db2.gz GETVKPKXYNPLEM-OKZBNKHCSA-N 1 3 351.491 0.308 10 30 FCEEHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](C[C@H](O)COC)[C@@H]2CC)CC1 ZINC001264627118 859406537 /nfs/dbraw/zinc/40/65/37/859406537.db2.gz GETVKPKXYNPLEM-OKZBNKHCSA-N 1 3 351.491 0.308 10 30 FCEEHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000595278371 491911549 /nfs/dbraw/zinc/91/15/49/491911549.db2.gz NNLCUWHCTJFWJR-GOSISDBHSA-N 1 3 373.501 0.938 10 30 FCEEHO C(#CC[N@@H+]1CC[C@@H](Cn2ccnn2)C1)CN1CC[C@@H](Cn2ccnn2)C1 ZINC000661139338 493410790 /nfs/dbraw/zinc/41/07/90/493410790.db2.gz HRHBPGYEABKALE-QZTJIDSGSA-N 1 3 354.462 0.217 10 30 FCEEHO C(#CC[N@H+]1CC[C@@H](Cn2ccnn2)C1)CN1CC[C@@H](Cn2ccnn2)C1 ZINC000661139338 493410793 /nfs/dbraw/zinc/41/07/93/493410793.db2.gz HRHBPGYEABKALE-QZTJIDSGSA-N 1 3 354.462 0.217 10 30 FCEEHO C=CCN1CCC(NC(=O)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)CC1 ZINC000668836451 493418480 /nfs/dbraw/zinc/41/84/80/493418480.db2.gz ZAHPEFDJGHUEAO-QGZVFWFLSA-N 1 3 366.506 0.322 10 30 FCEEHO C#CCN(C(=O)C(=O)N1CCC(C[NH+]2CCCC2)CC1)C1CCN(C)CC1 ZINC000910886884 1195857818 /nfs/dbraw/zinc/85/78/18/1195857818.db2.gz XCMWDRRMCZFNHT-UHFFFAOYSA-N 1 3 374.529 0.877 10 30 FCEEHO C#CCNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001479452735 1263204421 /nfs/dbraw/zinc/20/44/21/1263204421.db2.gz PRRUHFKFHXQZKA-DLBZAZTESA-N 1 3 362.518 0.875 10 30 FCEEHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C)C[C@H]1CNCC(=O)NCC#N ZINC001479562787 1263255878 /nfs/dbraw/zinc/25/58/78/1263255878.db2.gz ZZQUKGYCBGYGSN-IKGGRYGDSA-N 1 3 363.506 0.716 10 30 FCEEHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C)C[C@H]1CNCC(=O)NCC#N ZINC001479562787 1263255880 /nfs/dbraw/zinc/25/58/80/1263255880.db2.gz ZZQUKGYCBGYGSN-IKGGRYGDSA-N 1 3 363.506 0.716 10 30 FCEEHO C#CCN1CCC(C(=O)NC/C=C\CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001501877805 1264148706 /nfs/dbraw/zinc/14/87/06/1264148706.db2.gz VBNPAAJECYJBEB-GOVFWEMJSA-N 1 3 360.502 0.460 10 30 FCEEHO C#CCN1CCC(C(=O)NC/C=C\CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001501877805 1264148710 /nfs/dbraw/zinc/14/87/10/1264148710.db2.gz VBNPAAJECYJBEB-GOVFWEMJSA-N 1 3 360.502 0.460 10 30 FCEEHO CN(C)CC#CCNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC001565496505 1269477906 /nfs/dbraw/zinc/47/79/06/1269477906.db2.gz KJPYNYHYXBIQKO-OALUTQOASA-N 1 3 358.486 0.734 10 30 FCEEHO CN(C)CC#CCNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC001565496505 1269477913 /nfs/dbraw/zinc/47/79/13/1269477913.db2.gz KJPYNYHYXBIQKO-OALUTQOASA-N 1 3 358.486 0.734 10 30 FCEEHO C#CCN1CCC(C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]CC(=O)NCC)CC1 ZINC001565979655 1269539518 /nfs/dbraw/zinc/53/95/18/1269539518.db2.gz ZLCMSJBULMAHQF-AEFFLSMTSA-N 1 3 362.518 0.684 10 30 FCEEHO C#CCNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001707115288 1286453196 /nfs/dbraw/zinc/45/31/96/1286453196.db2.gz GEEBLEGRCJOZTN-RCCFBDPRSA-N 1 3 362.518 0.873 10 30 FCEEHO 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526383897 /nfs/dbraw/zinc/38/38/97/526383897.db2.gz HIMPPIRFMPULLS-WCQYABFASA-N 1 3 373.548 0.789 10 30 FCEEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000923201739 667811729 /nfs/dbraw/zinc/81/17/29/667811729.db2.gz SYBCGAHNTGUCBG-YESZJQIVSA-N 1 3 352.527 0.886 10 30 FCEEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000923201739 667811733 /nfs/dbraw/zinc/81/17/33/667811733.db2.gz SYBCGAHNTGUCBG-YESZJQIVSA-N 1 3 352.527 0.886 10 30 FCEEHO C#CCN1CCC(C(=O)NC[C@@H](CC)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001746160885 1192252716 /nfs/dbraw/zinc/25/27/16/1192252716.db2.gz QPXRQEDZKBOABV-KBAYOESNSA-N 1 3 362.518 0.683 10 30 FCEEHO C#CCN1CCC(C(=O)NC[C@@H](CC)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001746160885 1192252727 /nfs/dbraw/zinc/25/27/27/1192252727.db2.gz QPXRQEDZKBOABV-KBAYOESNSA-N 1 3 362.518 0.683 10 30 FCEEHO C=CCNC(=O)NC(=O)[C@@H](C)NCCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001481231732 1182926614 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