smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C#CC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001300690098 1067036180 /nfs/dbraw/zinc/03/61/80/1067036180.db2.gz BABGHLDQVKQOIH-LJQANCHMSA-N 2 2 475.468 4.128 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001300690098 1067036195 /nfs/dbraw/zinc/03/61/95/1067036195.db2.gz BABGHLDQVKQOIH-LJQANCHMSA-N 2 2 475.468 4.128 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@H](c2ccco2)[NH+](CC)CC)CC1 ZINC001359032265 1068643540 /nfs/dbraw/zinc/64/35/40/1068643540.db2.gz ICVGWGAWKKIRDJ-JOCHJYFZSA-N 2 2 497.043 4.038 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc(-c3ccc(CC)cc3)n2CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001359032403 1068645281 /nfs/dbraw/zinc/64/52/81/1068645281.db2.gz NCCBJPBMWAFYBY-ZEQRLZLVSA-N 2 2 462.686 4.021 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001300682068 1067016459 /nfs/dbraw/zinc/01/64/59/1067016459.db2.gz DWWUGMOZTCKYMX-ILBGXUMGSA-N 2 2 478.685 4.055 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCC[N@H+]2CCCC[C@H]2C)CC1 ZINC001300682068 1067016474 /nfs/dbraw/zinc/01/64/74/1067016474.db2.gz DWWUGMOZTCKYMX-ILBGXUMGSA-N 2 2 478.685 4.055 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc([C@H](C)Oc3c(C)cc(Cl)cc3C)n2C[C@@H](C)[NH+](CC)CC)CC1 ZINC001300684197 1067022638 /nfs/dbraw/zinc/02/26/38/1067022638.db2.gz XRLGTGZXGDCMOG-YADHBBJMSA-N 2 2 487.092 4.174 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc(-c3ccccc3Cl)n2CCC[N@@H+](C)C2CCCCC2)CC1 ZINC001300693123 1067043105 /nfs/dbraw/zinc/04/31/05/1067043105.db2.gz UDWSDUWOMMGWIX-UHFFFAOYSA-N 2 2 455.050 4.008 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc(-c3ccccc3Cl)n2CCC[N@H+](C)C2CCCCC2)CC1 ZINC001300693123 1067043122 /nfs/dbraw/zinc/04/31/22/1067043122.db2.gz UDWSDUWOMMGWIX-UHFFFAOYSA-N 2 2 455.050 4.008 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001359030257 1068637072 /nfs/dbraw/zinc/63/70/72/1068637072.db2.gz RLCWHBVCZTXYRB-PKTZIBPZSA-N 2 2 499.103 4.481 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC001359030257 1068637090 /nfs/dbraw/zinc/63/70/90/1068637090.db2.gz RLCWHBVCZTXYRB-PKTZIBPZSA-N 2 2 499.103 4.481 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001359030484 1068637655 /nfs/dbraw/zinc/63/76/55/1068637655.db2.gz WYCBWJOMKXHRCP-WEWMWRJBSA-N 2 2 476.713 4.333 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001359030484 1068637670 /nfs/dbraw/zinc/63/76/70/1068637670.db2.gz WYCBWJOMKXHRCP-WEWMWRJBSA-N 2 2 476.713 4.333 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001359030378 1068637715 /nfs/dbraw/zinc/63/77/15/1068637715.db2.gz VAKOYINSGWAHJQ-XPWALMASSA-N 2 2 499.103 4.195 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001359030378 1068637727 /nfs/dbraw/zinc/63/77/27/1068637727.db2.gz VAKOYINSGWAHJQ-XPWALMASSA-N 2 2 499.103 4.195 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc(-c3ccccc3C)n2C[C@@H](c2ccsc2)[NH+](CC)CC)CC1 ZINC001359033532 1068648617 /nfs/dbraw/zinc/64/86/17/1068648617.db2.gz FWXYCZSOZXUSTF-DEOSSOPVSA-N 2 2 462.667 4.153 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001300682076 1067016607 /nfs/dbraw/zinc/01/66/07/1067016607.db2.gz DWWUGMOZTCKYMX-ZCYQVOJMSA-N 2 2 478.685 4.055 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001300682076 1067016622 /nfs/dbraw/zinc/01/66/22/1067016622.db2.gz DWWUGMOZTCKYMX-ZCYQVOJMSA-N 2 2 478.685 4.055 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@H]2CCCC[N@H+]2CCC)CC1 ZINC001359030343 1068636971 /nfs/dbraw/zinc/63/69/71/1068636971.db2.gz UJFSXHHGEKLSBD-FYYLOGMGSA-N 2 2 485.076 4.091 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@H]2CCCC[N@@H+]2CCC)CC1 ZINC001359030343 1068636986 /nfs/dbraw/zinc/63/69/86/1068636986.db2.gz UJFSXHHGEKLSBD-FYYLOGMGSA-N 2 2 485.076 4.091 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H](c2ccsc2)[NH+](CC)CC)CC1 ZINC001359031333 1068640581 /nfs/dbraw/zinc/64/05/81/1068640581.db2.gz YLTARZQQYQULQF-HSZRJFAPSA-N 2 2 483.085 4.498 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc(-c3sc4ccccc4c3Cl)n2CCC[NH+](CC)CC)CC1 ZINC001359031395 1068640635 /nfs/dbraw/zinc/64/06/35/1068640635.db2.gz ZZEGRYIGYFYGPE-UHFFFAOYSA-N 2 2 471.074 4.300 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC2CC[NH+](CCC)CC2)CC1 ZINC001359031798 1068642091 /nfs/dbraw/zinc/64/20/91/1068642091.db2.gz PUWVFJWDEKPDQN-UHFFFAOYSA-N 2 2 462.686 4.120 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001300681745 1067015734 /nfs/dbraw/zinc/01/57/34/1067015734.db2.gz AEOODGUMKVMRBD-XPWALMASSA-N 2 2 496.675 4.069 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001300681745 1067015748 /nfs/dbraw/zinc/01/57/48/1067015748.db2.gz AEOODGUMKVMRBD-XPWALMASSA-N 2 2 496.675 4.069 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001300681746 1067015903 /nfs/dbraw/zinc/01/59/03/1067015903.db2.gz AEOODGUMKVMRBD-ZLNRFVROSA-N 2 2 496.675 4.069 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC[N@H+]2CCCC[C@@H]2CC)CC1 ZINC001359030063 1068635110 /nfs/dbraw/zinc/63/51/10/1068635110.db2.gz NHYIBQMOCKOSSI-GMAHTHKFSA-N 2 2 485.076 4.091 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC[N@@H+]2CCCC[C@@H]2CC)CC1 ZINC001359030063 1068635126 /nfs/dbraw/zinc/63/51/26/1068635126.db2.gz NHYIBQMOCKOSSI-GMAHTHKFSA-N 2 2 485.076 4.091 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@H]2CCCC[N@H+]2CCC)CC1 ZINC001359030346 1068638380 /nfs/dbraw/zinc/63/83/80/1068638380.db2.gz UJFSXHHGEKLSBD-JTHBVZDNSA-N 2 2 485.076 4.091 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@H]2CCCC[N@@H+]2CCC)CC1 ZINC001359030346 1068638397 /nfs/dbraw/zinc/63/83/97/1068638397.db2.gz UJFSXHHGEKLSBD-JTHBVZDNSA-N 2 2 485.076 4.091 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc(-c3cccc(Cl)c3)n2CCCCC[NH+]2CCCCC2)CC1 ZINC001359031289 1068641154 /nfs/dbraw/zinc/64/11/54/1068641154.db2.gz WXLHTEVNROONNA-UHFFFAOYSA-N 2 2 455.050 4.010 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H](c2ccsc2)[NH+](CC)CC)CC1 ZINC001359037052 1068649539 /nfs/dbraw/zinc/64/95/39/1068649539.db2.gz SRDPAQLPFYWQMO-XMMPIXPASA-N 2 2 497.112 4.422 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2C[C@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001300691456 1067040831 /nfs/dbraw/zinc/04/08/31/1067040831.db2.gz ZLJXYTSLAKTNIM-VWLOTQADSA-N 2 2 492.712 4.246 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H](c2ccco2)[NH+](CC)CC)CC1 ZINC001300692304 1067041984 /nfs/dbraw/zinc/04/19/84/1067041984.db2.gz CXLWHMMFGKTIPK-JOCHJYFZSA-N 2 2 467.017 4.030 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001300701268 1067061217 /nfs/dbraw/zinc/06/12/17/1067061217.db2.gz MPIKWODCLWNQJL-ZRZAMGCNSA-N 2 2 483.104 4.036 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001300701268 1067061225 /nfs/dbraw/zinc/06/12/25/1067061225.db2.gz MPIKWODCLWNQJL-ZRZAMGCNSA-N 2 2 483.104 4.036 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001359030258 1068636639 /nfs/dbraw/zinc/63/66/39/1068636639.db2.gz RLCWHBVCZTXYRB-XZOQPEGZSA-N 2 2 499.103 4.481 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001359030258 1068636649 /nfs/dbraw/zinc/63/66/49/1068636649.db2.gz RLCWHBVCZTXYRB-XZOQPEGZSA-N 2 2 499.103 4.481 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc([C@H](CC)c3ccccc3)n2CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001359030482 1068638143 /nfs/dbraw/zinc/63/81/43/1068638143.db2.gz WYCBWJOMKXHRCP-OHSXHVKISA-N 2 2 476.713 4.333 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC001359039403 1068652403 /nfs/dbraw/zinc/65/24/03/1068652403.db2.gz HEPKIHDXSSVWNQ-QFIPXVFZSA-N 2 2 487.117 4.099 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC001359039403 1068652417 /nfs/dbraw/zinc/65/24/17/1068652417.db2.gz HEPKIHDXSSVWNQ-QFIPXVFZSA-N 2 2 487.117 4.099 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc([C@H](CC)c3ccccc3)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001359030483 1068637530 /nfs/dbraw/zinc/63/75/30/1068637530.db2.gz WYCBWJOMKXHRCP-RGSZASNESA-N 2 2 476.713 4.333 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001359030618 1068639834 /nfs/dbraw/zinc/63/98/34/1068639834.db2.gz ZOFIFILZCWVVGE-ZCYQVOJMSA-N 2 2 462.686 4.086 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001359030618 1068639841 /nfs/dbraw/zinc/63/98/41/1068639841.db2.gz ZOFIFILZCWVVGE-ZCYQVOJMSA-N 2 2 462.686 4.086 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2C[C@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001359038893 1068651439 /nfs/dbraw/zinc/65/14/39/1068651439.db2.gz ORIVHVHPONQLOO-VWLOTQADSA-N 2 2 492.712 4.165 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001300682377 1067017882 /nfs/dbraw/zinc/01/78/82/1067017882.db2.gz GYCOCFDABIBPCN-SMIHKQSGSA-N 2 2 496.675 4.071 20 30 JIEDLP N#Cc1ccc2cc[nH+]c(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2c1 ZINC001164756889 720884998 /nfs/dbraw/zinc/88/49/98/720884998.db2.gz RVNCNFQSFSDCMX-NAKRPHOHSA-N 2 2 453.590 4.257 20 30 JIEDLP N#Cc1ccc2cc[nH+]c(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2c1 ZINC001164756889 720885001 /nfs/dbraw/zinc/88/50/01/720885001.db2.gz RVNCNFQSFSDCMX-NAKRPHOHSA-N 2 2 453.590 4.257 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H](c2ccco2)[NH+](CC)CC)CC1 ZINC001300692305 1067041802 /nfs/dbraw/zinc/04/18/02/1067041802.db2.gz CXLWHMMFGKTIPK-QFIPXVFZSA-N 2 2 467.017 4.030 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCC[N@H+](C)C2CCCCC2)CC1 ZINC001359029873 1068634718 /nfs/dbraw/zinc/63/47/18/1068634718.db2.gz JLVLIFAVVTXXCX-RUZDIDTESA-N 2 2 492.712 4.445 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCC[N@@H+](C)C2CCCCC2)CC1 ZINC001359029873 1068634727 /nfs/dbraw/zinc/63/47/27/1068634727.db2.gz JLVLIFAVVTXXCX-RUZDIDTESA-N 2 2 492.712 4.445 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@@H]2CCCC[N@H+]2CCC)CC1 ZINC001359030345 1068636057 /nfs/dbraw/zinc/63/60/57/1068636057.db2.gz UJFSXHHGEKLSBD-GMAHTHKFSA-N 2 2 485.076 4.091 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@@H]2CCCC[N@@H+]2CCC)CC1 ZINC001359030345 1068636087 /nfs/dbraw/zinc/63/60/87/1068636087.db2.gz UJFSXHHGEKLSBD-GMAHTHKFSA-N 2 2 485.076 4.091 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001359030380 1068638456 /nfs/dbraw/zinc/63/84/56/1068638456.db2.gz VAKOYINSGWAHJQ-ZRBLBEILSA-N 2 2 499.103 4.195 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001359030380 1068638463 /nfs/dbraw/zinc/63/84/63/1068638463.db2.gz VAKOYINSGWAHJQ-ZRBLBEILSA-N 2 2 499.103 4.195 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc(-c3ccc(Br)cc3)n2CCC[N@@H+](C)C2CCCCC2)CC1 ZINC001359031528 1068642535 /nfs/dbraw/zinc/64/25/35/1068642535.db2.gz GECDUUDAAKPUOJ-UHFFFAOYSA-N 2 2 499.501 4.117 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc(-c3ccc(Br)cc3)n2CCC[N@H+](C)C2CCCCC2)CC1 ZINC001359031528 1068642561 /nfs/dbraw/zinc/64/25/61/1068642561.db2.gz GECDUUDAAKPUOJ-UHFFFAOYSA-N 2 2 499.501 4.117 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC2CC[NH+](CCC)CC2)CC1 ZINC001359038733 1068651310 /nfs/dbraw/zinc/65/13/10/1068651310.db2.gz IENLJTRYNXRXEW-UHFFFAOYSA-N 2 2 492.712 4.032 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001300681742 1067015783 /nfs/dbraw/zinc/01/57/83/1067015783.db2.gz AEOODGUMKVMRBD-VABKMULXSA-N 2 2 496.675 4.069 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001300682074 1067016096 /nfs/dbraw/zinc/01/60/96/1067016096.db2.gz DWWUGMOZTCKYMX-UKILVPOCSA-N 2 2 478.685 4.055 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001300682074 1067016113 /nfs/dbraw/zinc/01/61/13/1067016113.db2.gz DWWUGMOZTCKYMX-UKILVPOCSA-N 2 2 478.685 4.055 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc([C@H](CC)c3ccccc3)n2CCCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001300682389 1067017795 /nfs/dbraw/zinc/01/77/95/1067017795.db2.gz GYPIOIMNIKUECW-AZGAKELHSA-N 2 2 462.686 4.087 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc([C@H](CC)c3ccccc3)n2CCCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC001300682389 1067017811 /nfs/dbraw/zinc/01/78/11/1067017811.db2.gz GYPIOIMNIKUECW-AZGAKELHSA-N 2 2 462.686 4.087 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC2CC[NH+](CCC(C)C)CC2)CC1 ZINC001300683069 1067018984 /nfs/dbraw/zinc/01/89/84/1067018984.db2.gz LDGDRSQIPMBXQI-HSZRJFAPSA-N 2 2 496.675 4.071 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC2CC[NH+](CCC(C)C)CC2)CC1 ZINC001300690571 1067038352 /nfs/dbraw/zinc/03/83/52/1067038352.db2.gz NGMWMDMTDTZARK-UHFFFAOYSA-N 2 2 469.077 4.112 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2C[C@H]2CCCC[N@H+]2CCC)CC1 ZINC001300708031 1067076958 /nfs/dbraw/zinc/07/69/58/1067076958.db2.gz MAACULIDNHZGCV-RUZDIDTESA-N 2 2 492.712 4.309 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2C[C@H]2CCCC[N@@H+]2CCC)CC1 ZINC001300708031 1067076975 /nfs/dbraw/zinc/07/69/75/1067076975.db2.gz MAACULIDNHZGCV-RUZDIDTESA-N 2 2 492.712 4.309 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001359030377 1068638587 /nfs/dbraw/zinc/63/85/87/1068638587.db2.gz VAKOYINSGWAHJQ-VABKMULXSA-N 2 2 499.103 4.195 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc(-c3sc4ccccc4c3Cl)n2CC[N@@H+](CC)CCC)CC1 ZINC001359030872 1068639370 /nfs/dbraw/zinc/63/93/70/1068639370.db2.gz JEPQSNLSYAXWCC-UHFFFAOYSA-N 2 2 471.074 4.300 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc(-c3sc4ccccc4c3Cl)n2CC[N@H+](CC)CCC)CC1 ZINC001359030872 1068639392 /nfs/dbraw/zinc/63/93/92/1068639392.db2.gz JEPQSNLSYAXWCC-UHFFFAOYSA-N 2 2 471.074 4.300 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc(-c3cccc(Br)c3)n2CCCCC[NH+]2CCCCC2)CC1 ZINC001359031332 1068641094 /nfs/dbraw/zinc/64/10/94/1068641094.db2.gz YLAVGJDBLCTVCW-UHFFFAOYSA-N 2 2 499.501 4.119 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001300682072 1067016397 /nfs/dbraw/zinc/01/63/97/1067016397.db2.gz DWWUGMOZTCKYMX-NOZRDPDXSA-N 2 2 478.685 4.055 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCC[N@H+]2CCCC[C@H]2C)CC1 ZINC001300682072 1067016412 /nfs/dbraw/zinc/01/64/12/1067016412.db2.gz DWWUGMOZTCKYMX-NOZRDPDXSA-N 2 2 478.685 4.055 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001300682390 1067017668 /nfs/dbraw/zinc/01/76/68/1067017668.db2.gz GYPIOIMNIKUECW-RSXGOPAZSA-N 2 2 462.686 4.087 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CCCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001300682390 1067017686 /nfs/dbraw/zinc/01/76/86/1067017686.db2.gz GYPIOIMNIKUECW-RSXGOPAZSA-N 2 2 462.686 4.087 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc(-c3ccccc3Cl)n2CC2CC[NH+](CCC(C)C)CC2)CC1 ZINC001300693063 1067043500 /nfs/dbraw/zinc/04/35/00/1067043500.db2.gz QWWUROZPQLNDKL-UHFFFAOYSA-N 2 2 469.077 4.112 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001359030255 1068636431 /nfs/dbraw/zinc/63/64/31/1068636431.db2.gz RLCWHBVCZTXYRB-DHIUTWEWSA-N 2 2 499.103 4.481 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC001359030255 1068636454 /nfs/dbraw/zinc/63/64/54/1068636454.db2.gz RLCWHBVCZTXYRB-DHIUTWEWSA-N 2 2 499.103 4.481 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc(-c3ccc(CC)cc3)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001359032402 1068644780 /nfs/dbraw/zinc/64/47/80/1068644780.db2.gz NCCBJPBMWAFYBY-PSWAGMNNSA-N 2 2 462.686 4.021 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc(-c3ccc(CC)cc3)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001359032402 1068644802 /nfs/dbraw/zinc/64/48/02/1068644802.db2.gz NCCBJPBMWAFYBY-PSWAGMNNSA-N 2 2 462.686 4.021 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc([C@@H](C)Oc3c(C)cc(Cl)cc3C)n2C[C@@H](C)[NH+](CC)CC)CC1 ZINC001300684194 1067022490 /nfs/dbraw/zinc/02/24/90/1067022490.db2.gz XRLGTGZXGDCMOG-FGZHOGPDSA-N 2 2 487.092 4.174 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC[N@H+]2CCCC[C@H]2CC)CC1 ZINC001359030061 1068634754 /nfs/dbraw/zinc/63/47/54/1068634754.db2.gz NHYIBQMOCKOSSI-FYYLOGMGSA-N 2 2 485.076 4.091 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC[N@@H+]2CCCC[C@H]2CC)CC1 ZINC001359030061 1068634771 /nfs/dbraw/zinc/63/47/71/1068634771.db2.gz NHYIBQMOCKOSSI-FYYLOGMGSA-N 2 2 485.076 4.091 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H](c2ccsc2)[NH+](CC)CC)CC1 ZINC001359031334 1068640698 /nfs/dbraw/zinc/64/06/98/1068640698.db2.gz YLTARZQQYQULQF-QHCPKHFHSA-N 2 2 483.085 4.498 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc(-c3ccc(CC)cc3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001359032694 1068646822 /nfs/dbraw/zinc/64/68/22/1068646822.db2.gz ZBORQJHOWZSOSR-DHIUTWEWSA-N 2 2 462.686 4.019 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc([C@H](C)Oc3c(C)cc(Cl)cc3C)n2CCC[N@@H+](C)C(C)C)CC1 ZINC001300683733 1067021510 /nfs/dbraw/zinc/02/15/10/1067021510.db2.gz RZSZEUTUZRVCAR-QFIPXVFZSA-N 2 2 487.092 4.174 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc([C@H](C)Oc3c(C)cc(Cl)cc3C)n2CCC[N@H+](C)C(C)C)CC1 ZINC001300683733 1067021530 /nfs/dbraw/zinc/02/15/30/1067021530.db2.gz RZSZEUTUZRVCAR-QFIPXVFZSA-N 2 2 487.092 4.174 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2C[C@@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001300691455 1067040736 /nfs/dbraw/zinc/04/07/36/1067040736.db2.gz ZLJXYTSLAKTNIM-RUZDIDTESA-N 2 2 492.712 4.246 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@@H]2CCCC[N@H+]2CCC)CC1 ZINC001359030344 1068636838 /nfs/dbraw/zinc/63/68/38/1068636838.db2.gz UJFSXHHGEKLSBD-GGAORHGYSA-N 2 2 485.076 4.091 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@@H]2CCCC[N@@H+]2CCC)CC1 ZINC001359030344 1068636856 /nfs/dbraw/zinc/63/68/56/1068636856.db2.gz UJFSXHHGEKLSBD-GGAORHGYSA-N 2 2 485.076 4.091 20 30 JIEDLP N#Cc1ccc2cc[nH+]c(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2c1 ZINC001164756887 720885063 /nfs/dbraw/zinc/88/50/63/720885063.db2.gz RVNCNFQSFSDCMX-LSYYVWMOSA-N 2 2 453.590 4.257 20 30 JIEDLP N#Cc1ccc2cc[nH+]c(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2c1 ZINC001164756887 720885066 /nfs/dbraw/zinc/88/50/66/720885066.db2.gz RVNCNFQSFSDCMX-LSYYVWMOSA-N 2 2 453.590 4.257 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H](c2ccco2)[NH+](CC)CC)CC1 ZINC001300690406 1067037644 /nfs/dbraw/zinc/03/76/44/1067037644.db2.gz KQZDILCYLIIYEC-JOCHJYFZSA-N 2 2 467.017 4.030 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc(-c3ccccc3Br)n2CCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001359032860 1068647126 /nfs/dbraw/zinc/64/71/26/1068647126.db2.gz GMCAHDWQYJPTBE-NRFANRHFSA-N 2 2 499.501 4.117 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc(-c3ccccc3Br)n2CCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001359032860 1068647140 /nfs/dbraw/zinc/64/71/40/1068647140.db2.gz GMCAHDWQYJPTBE-NRFANRHFSA-N 2 2 499.501 4.117 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc(-c3ccc(CC)cc3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001359032696 1068646907 /nfs/dbraw/zinc/64/69/07/1068646907.db2.gz ZBORQJHOWZSOSR-ZRZAMGCNSA-N 2 2 462.686 4.019 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc(-c3ccc(CC)cc3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001359032696 1068646923 /nfs/dbraw/zinc/64/69/23/1068646923.db2.gz ZBORQJHOWZSOSR-ZRZAMGCNSA-N 2 2 462.686 4.019 20 30 JIEDLP C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3[nH+]ccc4ccc(C#N)cc43)CC2)c2ccccc21 ZINC001164684136 719665966 /nfs/dbraw/zinc/66/59/66/719665966.db2.gz SHUZHVQDIRZXBB-QHCPKHFHSA-N 2 2 467.617 4.200 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc([C@H](CC)c3ccccc3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001359030615 1068638224 /nfs/dbraw/zinc/63/82/24/1068638224.db2.gz ZOFIFILZCWVVGE-ILBGXUMGSA-N 2 2 462.686 4.086 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc([C@H](CC)c3ccccc3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001359030615 1068638253 /nfs/dbraw/zinc/63/82/53/1068638253.db2.gz ZOFIFILZCWVVGE-ILBGXUMGSA-N 2 2 462.686 4.086 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H](c2cccs2)[NH+](C)C)CC1 ZINC001359032166 1068643594 /nfs/dbraw/zinc/64/35/94/1068643594.db2.gz DXEXRFWITNLQBS-FQEVSTJZSA-N 2 2 489.476 4.372 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2C[C@@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001359038892 1068651009 /nfs/dbraw/zinc/65/10/09/1068651009.db2.gz ORIVHVHPONQLOO-RUZDIDTESA-N 2 2 492.712 4.165 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001300690097 1067036008 /nfs/dbraw/zinc/03/60/08/1067036008.db2.gz BABGHLDQVKQOIH-IBGZPJMESA-N 2 2 475.468 4.128 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001300690097 1067036021 /nfs/dbraw/zinc/03/60/21/1067036021.db2.gz BABGHLDQVKQOIH-IBGZPJMESA-N 2 2 475.468 4.128 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H](c2ccco2)[NH+](CC)CC)CC1 ZINC001300690408 1067037732 /nfs/dbraw/zinc/03/77/32/1067037732.db2.gz KQZDILCYLIIYEC-QFIPXVFZSA-N 2 2 467.017 4.030 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCC[N@H+](C)C2CCCCC2)CC1 ZINC001359029874 1068634559 /nfs/dbraw/zinc/63/45/59/1068634559.db2.gz JLVLIFAVVTXXCX-VWLOTQADSA-N 2 2 492.712 4.445 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCC[N@@H+](C)C2CCCCC2)CC1 ZINC001359029874 1068634568 /nfs/dbraw/zinc/63/45/68/1068634568.db2.gz JLVLIFAVVTXXCX-VWLOTQADSA-N 2 2 492.712 4.445 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc(-c3ccc(CC)cc3)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001359032695 1068647167 /nfs/dbraw/zinc/64/71/67/1068647167.db2.gz ZBORQJHOWZSOSR-GOTSBHOMSA-N 2 2 462.686 4.019 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001300682381 1067017579 /nfs/dbraw/zinc/01/75/79/1067017579.db2.gz GYCOCFDABIBPCN-TZRRMPRUSA-N 2 2 496.675 4.071 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001300682381 1067017594 /nfs/dbraw/zinc/01/75/94/1067017594.db2.gz GYCOCFDABIBPCN-TZRRMPRUSA-N 2 2 496.675 4.071 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc([C@@H](C)Oc3c(C)cc(Cl)cc3C)n2CCC[N@@H+](C)C(C)C)CC1 ZINC001300683732 1067021174 /nfs/dbraw/zinc/02/11/74/1067021174.db2.gz RZSZEUTUZRVCAR-JOCHJYFZSA-N 2 2 487.092 4.174 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc([C@@H](C)Oc3c(C)cc(Cl)cc3C)n2CCC[N@H+](C)C(C)C)CC1 ZINC001300683732 1067021196 /nfs/dbraw/zinc/02/11/96/1067021196.db2.gz RZSZEUTUZRVCAR-JOCHJYFZSA-N 2 2 487.092 4.174 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001300701266 1067061253 /nfs/dbraw/zinc/06/12/53/1067061253.db2.gz MPIKWODCLWNQJL-DHIUTWEWSA-N 2 2 483.104 4.036 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC001300707008 1067074842 /nfs/dbraw/zinc/07/48/42/1067074842.db2.gz ANDULCTXKXDFKE-RUZDIDTESA-N 2 2 492.712 4.030 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC001300707008 1067074860 /nfs/dbraw/zinc/07/48/60/1067074860.db2.gz ANDULCTXKXDFKE-RUZDIDTESA-N 2 2 492.712 4.030 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001359030256 1068635919 /nfs/dbraw/zinc/63/59/19/1068635919.db2.gz RLCWHBVCZTXYRB-GOTSBHOMSA-N 2 2 499.103 4.481 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001359030256 1068635928 /nfs/dbraw/zinc/63/59/28/1068635928.db2.gz RLCWHBVCZTXYRB-GOTSBHOMSA-N 2 2 499.103 4.481 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc(-c3ccc(CC)cc3)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001359032401 1068645040 /nfs/dbraw/zinc/64/50/40/1068645040.db2.gz NCCBJPBMWAFYBY-DNQXCXABSA-N 2 2 462.686 4.021 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc(-c3ccccc3Br)n2CCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC001359032861 1068646726 /nfs/dbraw/zinc/64/67/26/1068646726.db2.gz GMCAHDWQYJPTBE-OAQYLSRUSA-N 2 2 499.501 4.117 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc(-c3ccccc3Br)n2CCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001359032861 1068646752 /nfs/dbraw/zinc/64/67/52/1068646752.db2.gz GMCAHDWQYJPTBE-OAQYLSRUSA-N 2 2 499.501 4.117 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC001359039402 1068652778 /nfs/dbraw/zinc/65/27/78/1068652778.db2.gz HEPKIHDXSSVWNQ-JOCHJYFZSA-N 2 2 487.117 4.099 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC001359039402 1068652793 /nfs/dbraw/zinc/65/27/93/1068652793.db2.gz HEPKIHDXSSVWNQ-JOCHJYFZSA-N 2 2 487.117 4.099 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001359038871 1068650895 /nfs/dbraw/zinc/65/08/95/1068650895.db2.gz NXFVRAQMELIECM-XMMPIXPASA-N 2 2 492.712 4.030 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001359038871 1068650917 /nfs/dbraw/zinc/65/09/17/1068650917.db2.gz NXFVRAQMELIECM-XMMPIXPASA-N 2 2 492.712 4.030 20 30 JIEDLP C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3[nH+]ccc4ccc(C#N)cc43)CC2)c2ccccc21 ZINC001164684128 719665872 /nfs/dbraw/zinc/66/58/72/719665872.db2.gz SHUZHVQDIRZXBB-HSZRJFAPSA-N 2 2 467.617 4.200 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001300682375 1067017501 /nfs/dbraw/zinc/01/75/01/1067017501.db2.gz GYCOCFDABIBPCN-HJOGWXRNSA-N 2 2 496.675 4.071 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H](c2ccsc2)[NH+](CC)CC)CC1 ZINC001359037051 1068649208 /nfs/dbraw/zinc/64/92/08/1068649208.db2.gz SRDPAQLPFYWQMO-DEOSSOPVSA-N 2 2 497.112 4.422 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2CC[N@@H+]2CCCC(C)(C)C2)CC1 ZINC001300690823 1067038645 /nfs/dbraw/zinc/03/86/45/1067038645.db2.gz KAGZOVDWECECDD-UHFFFAOYSA-N 2 2 492.712 4.247 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2CC[N@H+]2CCCC(C)(C)C2)CC1 ZINC001300690823 1067038660 /nfs/dbraw/zinc/03/86/60/1067038660.db2.gz KAGZOVDWECECDD-UHFFFAOYSA-N 2 2 492.712 4.247 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc(-c3ccccc3C)n2C[C@H](c2ccsc2)[NH+](CC)CC)CC1 ZINC001359033533 1068647936 /nfs/dbraw/zinc/64/79/36/1068647936.db2.gz FWXYCZSOZXUSTF-XMMPIXPASA-N 2 2 462.667 4.153 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc(CSc3ccc(C)cc3)n2CCCC[NH+]2CCC(C)CC2)CC1 ZINC001300709784 1067081027 /nfs/dbraw/zinc/08/10/27/1067081027.db2.gz GCEODKWAFDBLIG-UHFFFAOYSA-N 2 2 480.726 4.146 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCC[N@@H+](C)C2CCCCC2)CC1 ZINC001300690362 1067037252 /nfs/dbraw/zinc/03/72/52/1067037252.db2.gz JAWHJKPNJYRTDU-UHFFFAOYSA-N 2 2 455.050 4.008 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCC[N@H+](C)C2CCCCC2)CC1 ZINC001300690362 1067037269 /nfs/dbraw/zinc/03/72/69/1067037269.db2.gz JAWHJKPNJYRTDU-UHFFFAOYSA-N 2 2 455.050 4.008 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001359038870 1068651510 /nfs/dbraw/zinc/65/15/10/1068651510.db2.gz NXFVRAQMELIECM-DEOSSOPVSA-N 2 2 492.712 4.030 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001359038870 1068651528 /nfs/dbraw/zinc/65/15/28/1068651528.db2.gz NXFVRAQMELIECM-DEOSSOPVSA-N 2 2 492.712 4.030 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc([C@H](CC)c3ccccc3)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001359030481 1068638526 /nfs/dbraw/zinc/63/85/26/1068638526.db2.gz WYCBWJOMKXHRCP-CMTIAEDTSA-N 2 2 476.713 4.333 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc([C@H](CC)c3ccccc3)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001359030481 1068638545 /nfs/dbraw/zinc/63/85/45/1068638545.db2.gz WYCBWJOMKXHRCP-CMTIAEDTSA-N 2 2 476.713 4.333 20 30 JIEDLP N#Cc1ccc2cc[nH+]c(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2c1 ZINC001164756882 720884620 /nfs/dbraw/zinc/88/46/20/720884620.db2.gz RVNCNFQSFSDCMX-LBNVMWSVSA-N 2 2 453.590 4.257 20 30 JIEDLP N#Cc1ccc2cc[nH+]c(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2c1 ZINC001164756882 720884624 /nfs/dbraw/zinc/88/46/24/720884624.db2.gz RVNCNFQSFSDCMX-LBNVMWSVSA-N 2 2 453.590 4.257 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc(-c3ccccc3Br)n2C[C@@H]2CCCC[N@H+]2CCCC)CC1 ZINC001300693281 1067044192 /nfs/dbraw/zinc/04/41/92/1067044192.db2.gz WITKOXXGEVVGNT-NRFANRHFSA-N 2 2 499.501 4.117 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc(-c3ccccc3Br)n2C[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001300693281 1067044210 /nfs/dbraw/zinc/04/42/10/1067044210.db2.gz WITKOXXGEVVGNT-NRFANRHFSA-N 2 2 499.501 4.117 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc([C@H](CC)c3ccccc3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001300682387 1067017957 /nfs/dbraw/zinc/01/79/57/1067017957.db2.gz GYPIOIMNIKUECW-AOYPEHQESA-N 2 2 462.686 4.087 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc([C@H](CC)c3ccccc3)n2CCCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001300682387 1067017972 /nfs/dbraw/zinc/01/79/72/1067017972.db2.gz GYPIOIMNIKUECW-AOYPEHQESA-N 2 2 462.686 4.087 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001300701267 1067061015 /nfs/dbraw/zinc/06/10/15/1067061015.db2.gz MPIKWODCLWNQJL-GOTSBHOMSA-N 2 2 483.104 4.036 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC001300707009 1067075142 /nfs/dbraw/zinc/07/51/42/1067075142.db2.gz ANDULCTXKXDFKE-VWLOTQADSA-N 2 2 492.712 4.030 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC001300707009 1067075161 /nfs/dbraw/zinc/07/51/61/1067075161.db2.gz ANDULCTXKXDFKE-VWLOTQADSA-N 2 2 492.712 4.030 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H](c2cccs2)[NH+](C)C)CC1 ZINC001359032167 1068643788 /nfs/dbraw/zinc/64/37/88/1068643788.db2.gz DXEXRFWITNLQBS-HXUWFJFHSA-N 2 2 489.476 4.372 20 30 JIEDLP N#Cc1ccc2cc[nH+]c(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2c1 ZINC001164756884 720884893 /nfs/dbraw/zinc/88/48/93/720884893.db2.gz RVNCNFQSFSDCMX-LEAFIULHSA-N 2 2 453.590 4.257 20 30 JIEDLP N#Cc1ccc2cc[nH+]c(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2c1 ZINC001164756884 720884895 /nfs/dbraw/zinc/88/48/95/720884895.db2.gz RVNCNFQSFSDCMX-LEAFIULHSA-N 2 2 453.590 4.257 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC[N@@H+](CC)CCC(F)(F)F)CC1 ZINC001300691196 1067040560 /nfs/dbraw/zinc/04/05/60/1067040560.db2.gz ZMUSWFFOKFBCOL-UHFFFAOYSA-N 2 2 490.618 4.272 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC[N@H+](CC)CCC(F)(F)F)CC1 ZINC001300691196 1067040574 /nfs/dbraw/zinc/04/05/74/1067040574.db2.gz ZMUSWFFOKFBCOL-UHFFFAOYSA-N 2 2 490.618 4.272 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2C[C@@H]2CCCC[N@H+]2CCC)CC1 ZINC001300708032 1067077156 /nfs/dbraw/zinc/07/71/56/1067077156.db2.gz MAACULIDNHZGCV-VWLOTQADSA-N 2 2 492.712 4.309 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2C[C@@H]2CCCC[N@@H+]2CCC)CC1 ZINC001300708032 1067077178 /nfs/dbraw/zinc/07/71/78/1067077178.db2.gz MAACULIDNHZGCV-VWLOTQADSA-N 2 2 492.712 4.309 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC[N@H+]2CCCC[C@H]2CC)CC1 ZINC001359030064 1068635011 /nfs/dbraw/zinc/63/50/11/1068635011.db2.gz NHYIBQMOCKOSSI-JTHBVZDNSA-N 2 2 485.076 4.091 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC[N@@H+]2CCCC[C@H]2CC)CC1 ZINC001359030064 1068635020 /nfs/dbraw/zinc/63/50/20/1068635020.db2.gz NHYIBQMOCKOSSI-JTHBVZDNSA-N 2 2 485.076 4.091 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@H](c2ccco2)[NH+](CC)CC)CC1 ZINC001359032266 1068643368 /nfs/dbraw/zinc/64/33/68/1068643368.db2.gz ICVGWGAWKKIRDJ-QFIPXVFZSA-N 2 2 497.043 4.038 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc(-c3ccc(-c4ccc(F)cc4)s3)n2CCC[N@@H+](C)C(C)C)CC1 ZINC001359032620 1068647233 /nfs/dbraw/zinc/64/72/33/1068647233.db2.gz VHDDGHFAEGTJCT-UHFFFAOYSA-N 2 2 480.657 4.298 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc(-c3ccc(-c4ccc(F)cc4)s3)n2CCC[N@H+](C)C(C)C)CC1 ZINC001359032620 1068647243 /nfs/dbraw/zinc/64/72/43/1068647243.db2.gz VHDDGHFAEGTJCT-UHFFFAOYSA-N 2 2 480.657 4.298 20 30 JIEDLP C#CCOc1cccc(Cl)c1C[NH2+]Cc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC001200590251 1068973018 /nfs/dbraw/zinc/97/30/18/1068973018.db2.gz JDBAKXYIZZXCIT-UHFFFAOYSA-N 2 2 451.920 4.412 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC2CC[NH+](CCC(C)C)CC2)CC1 ZINC001300683071 1067018768 /nfs/dbraw/zinc/01/87/68/1067018768.db2.gz LDGDRSQIPMBXQI-QHCPKHFHSA-N 2 2 496.675 4.071 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC2CC[NH+](CCC(C)C)CC2)CC1 ZINC001359032222 1068643715 /nfs/dbraw/zinc/64/37/15/1068643715.db2.gz GSSOFYYQQBJXSQ-UHFFFAOYSA-N 2 2 487.067 4.251 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001359030379 1068638011 /nfs/dbraw/zinc/63/80/11/1068638011.db2.gz VAKOYINSGWAHJQ-ZLNRFVROSA-N 2 2 499.103 4.195 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001300681748 1067015827 /nfs/dbraw/zinc/01/58/27/1067015827.db2.gz AEOODGUMKVMRBD-ZRBLBEILSA-N 2 2 496.675 4.069 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001300681748 1067015839 /nfs/dbraw/zinc/01/58/39/1067015839.db2.gz AEOODGUMKVMRBD-ZRBLBEILSA-N 2 2 496.675 4.069 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CCCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001300682385 1067017422 /nfs/dbraw/zinc/01/74/22/1067017422.db2.gz GYPIOIMNIKUECW-AHWVRZQESA-N 2 2 462.686 4.087 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CCCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC001300682385 1067017439 /nfs/dbraw/zinc/01/74/39/1067017439.db2.gz GYPIOIMNIKUECW-AHWVRZQESA-N 2 2 462.686 4.087 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC[N@H+]2CCCC[C@@H]2CC)CC1 ZINC001359030062 1068634609 /nfs/dbraw/zinc/63/46/09/1068634609.db2.gz NHYIBQMOCKOSSI-GGAORHGYSA-N 2 2 485.076 4.091 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC[N@@H+]2CCCC[C@@H]2CC)CC1 ZINC001359030062 1068634620 /nfs/dbraw/zinc/63/46/20/1068634620.db2.gz NHYIBQMOCKOSSI-GGAORHGYSA-N 2 2 485.076 4.091 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001300682383 1067017733 /nfs/dbraw/zinc/01/77/33/1067017733.db2.gz GYCOCFDABIBPCN-VXNXHJTFSA-N 2 2 496.675 4.071 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001300682383 1067017748 /nfs/dbraw/zinc/01/77/48/1067017748.db2.gz GYCOCFDABIBPCN-VXNXHJTFSA-N 2 2 496.675 4.071 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc(-c3ccccc3Br)n2C[C@H]2CCCC[N@H+]2CCCC)CC1 ZINC001300693283 1067043831 /nfs/dbraw/zinc/04/38/31/1067043831.db2.gz WITKOXXGEVVGNT-OAQYLSRUSA-N 2 2 499.501 4.117 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc(-c3ccccc3Br)n2C[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001300693283 1067043850 /nfs/dbraw/zinc/04/38/50/1067043850.db2.gz WITKOXXGEVVGNT-OAQYLSRUSA-N 2 2 499.501 4.117 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc([C@H](CC)c3ccccc3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001359030617 1068639618 /nfs/dbraw/zinc/63/96/18/1068639618.db2.gz ZOFIFILZCWVVGE-UKILVPOCSA-N 2 2 462.686 4.086 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc([C@H](CC)c3ccccc3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001359030617 1068639634 /nfs/dbraw/zinc/63/96/34/1068639634.db2.gz ZOFIFILZCWVVGE-UKILVPOCSA-N 2 2 462.686 4.086 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001359030616 1068639991 /nfs/dbraw/zinc/63/99/91/1068639991.db2.gz ZOFIFILZCWVVGE-NOZRDPDXSA-N 2 2 462.686 4.086 20 30 JIEDLP C#CC[NH+]1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001359030616 1068640002 /nfs/dbraw/zinc/64/00/02/1068640002.db2.gz ZOFIFILZCWVVGE-NOZRDPDXSA-N 2 2 462.686 4.086 20 30 JIEDLP